3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene

C140H213NO17 — CID 159139745

IUPAC3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene
SMILESCCCCC(=O)c1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCOCc1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cc(O)cc(OCC2CCCCC2)c1.CC[C@@H](O)[C@@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](O)[C@H](O)c1cccc(OCC2CCCCC2)c1.CN(C)CCC(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H27NO2.C18H26O2.2C18H28O.3C17H26O3.C17H26O2/c1-19(2)12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-3-5-8-15;1-2-3-12-18(19)16-10-7-11-17(13-16)20-14-15-8-5-4-6-9-15;2*1-2-3-5-9-16-12-8-13-18(14-16)19-15-17-10-6-4-7-11-17;2*1-2-16(18)17(19)14-9-6-10-15(11-14)20-12-13-7-4-3-5-8-13;1-2-6-17(19)14-9-15(18)11-16(10-14)20-12-13-7-4-3-5-8-13;1-2-11-18-13-16-9-6-10-17(12-16)19-14-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;2*8,12-14,17H,2-7,9-11,15H2,1H3;2*6,9-11,13,16-19H,2-5,7-8,12H2,1H3;9-11,13,17-19H,2-8,12H2,1H3;6,9-10,12,15H,2-5,7-8,11,13-14H2,1H3/t;;;;16-,17+;16-,17-;17-;/m....111./s1
InChIKeyKHYJBHATRWNOPU-HVHAJLIASA-N
MW2182.23 g/mol
LogP35.21
Rot. Bonds53

About 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene

3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene (PubChem CID 159139745) has the molecular formula C140H213NO17 and a molecular weight of 2182.23 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene
PubChem CID159139745
Molecular FormulaC140H213NO17
Molecular Weight2182.23 g/mol
Exact Mass2180.58
IUPAC Name3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene
SMILESCCCCC(=O)c1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCOCc1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cc(O)cc(OCC2CCCCC2)c1.CC[C@@H](O)[C@@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](O)[C@H](O)c1cccc(OCC2CCCCC2)c1.CN(C)CCC(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H27NO2.C18H26O2.2C18H28O.3C17H26O3.C17H26O2/c1-19(2)12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-3-5-8-15;1-2-3-12-18(19)16-10-7-11-17(13-16)20-14-15-8-5-4-6-9-15;2*1-2-3-5-9-16-12-8-13-18(14-16)19-15-17-10-6-4-7-11-17;2*1-2-16(18)17(19)14-9-6-10-15(11-14)20-12-13-7-4-3-5-8-13;1-2-6-17(19)14-9-15(18)11-16(10-14)20-12-13-7-4-3-5-8-13;1-2-11-18-13-16-9-6-10-17(12-16)19-14-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;2*8,12-14,17H,2-7,9-11,15H2,1H3;2*6,9-11,13,16-19H,2-5,7-8,12H2,1H3;9-11,13,17-19H,2-8,12H2,1H3;6,9-10,12,15H,2-5,7-8,11,13-14H2,1H3/t;;;;16-,17+;16-,17-;17-;/m....111./s1
InChIKeyKHYJBHATRWNOPU-HVHAJLIASA-N
XLogP35.21
TPSA241.83 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds53
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002182.23
LogP ≤ 535.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene with MolForge

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Related Compounds

1-butyl-3-(cyclohexylmethoxy)benzene;(3-butylphenoxy)methylcycloheptane;1-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;1-[3-(cycloheptylmethoxy)phenyl]butan-1-one;1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-2-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-one
CID 158362382
1-butyl-3-(2-ethylbutoxy)benzene;1-[(3-butylphenoxy)methyl]cycloheptan-1-ol;1-butyl-3-(2-propylpentoxy)benzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cycloheptan-1-ol;1-[[3-(1-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol;1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one;1-[3-[(1-hydroxycyclohexyl)methoxy]phenyl]butan-1-one;methane
CID 158164101
(1S)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1R,2R)-1-[3-(cycloheptylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(cyclopentylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(2-ethylbutoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(2-ethylbutoxy)phenyl]-2-methylbutan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-one
CID 158616122
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
1-[3-(cyclohexylmethoxy)phenyl]hexane-1,5-dione
CID 158607530
1-butyl-3-(2-ethylbutoxy)benzene;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-(1-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(2-fluorobutyl)benzene;1-(cyclohexylmethoxy)-3-(1-methoxybutyl)benzene;4-[3-(cyclohexylmethoxy)phenyl]butan-2-imine;1-[3-(cyclohexylmethoxy)phenyl]butan-2-one;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-ol;(6R)-6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxyhexan-2-one;(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 159789228
1-butyl-3-(2-ethylbutoxy)benzene;4-[(3-butylphenoxy)methyl]heptan-4-ol;1-butyl-3-(2-propylpentoxy)benzene;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-ol
CID 161338380
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
CID 135168970
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159
1-[3-(cyclopropylmethoxy)phenyl]butan-1-one
CID 155393071
[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
CID 158343051
4-[(3-butylphenoxy)methyl]heptan-4-ol;1-(cyclohexylmethoxy)-3-propoxybenzene;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;(3-propoxyphenoxy)methylcycloheptane;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene
CID 160693710

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene?
The IUPAC name of 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene (CID 159139745) is 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene is CCCCC(=O)c1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCCCc1cccc(OCC2CCCCC2)c1.CCCOCc1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cc(O)cc(OCC2CCCCC2)c1.CC[C@@H](O)[C@@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](O)[C@H](O)c1cccc(OCC2CCCCC2)c1.CN(C)CCC(=O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene?
The InChIKey is KHYJBHATRWNOPU-HVHAJLIASA-N. The full InChI is InChI=1S/C18H27NO2.C18H26O2.2C18H28O.3C17H26O3.C17H26O2/c1-19(2)12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-3-5-8-15;1-2-3-12-18(19)16-10-7-11-17(13-16)20-14-15-8-5-4-6-9-15;2*1-2-3-5-9-16-12-8-13-18(14-16)19-15-17-10-6-4-7-11-17;2*1-2-16(18)17(19)14-9-6-10-15(11-14)20-12-13-7-4-3-5-8-13;1-2-6-17(19)14-9-15(18)11-16(10-14)20-12-13-7-4-3-5-8-13;1-2-11-18-13-16-9-6-10-17(12-16)19-14-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;2*8,12-14,17H,2-7,9-11,15H2,1H3;2*6,9-11,13,16-19H,2-5,7-8,12H2,1H3;9-11,13,17-19H,2-8,12H2,1H3;6,9-10,12,15H,2-5,7-8,11,13-14H2,1H3/t;;;;16-,17+;16-,17-;17-;/m....111./s1.
What are the key properties of 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene?
3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene has a molecular weight of 2182.23 g/mol, XLogP of 35.21, 53 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-[(1R)-1-hydroxybutyl]phenol;bis(1-(cyclohexylmethoxy)-3-pentylbenzene);(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;(1S,2R)-1-[3-(cyclohexylmethoxy)phenyl]butane-1,2-diol;1-[3-(cyclohexylmethoxy)phenyl]-3-(dimethylamino)propan-1-one;1-[3-(cyclohexylmethoxy)phenyl]pentan-1-one;1-(cyclohexylmethoxy)-3-(propoxymethyl)benzene is sourced from PubChem (CID 159139745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).