1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane

C117H178O16 — CID 159940625

IUPAC1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane
SMILESCCCOc1cc(C)cc(OCC2CCCCC2)c1.CCCOc1cc(OCC2CCCCC2)ccc1C.CCCOc1cccc(OCC2(O)CCCCCCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1C.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1
InChIInChI=1S/C18H28O3.C18H28O2.3C17H26O2.C15H22O3.C15H22O2/c1-2-13-20-16-9-8-10-17(14-16)21-15-18(19)11-6-4-3-5-7-12-18;1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-3-12-18-16-10-7-11-17(14(16)2)19-13-15-8-5-4-6-9-15;1-3-11-18-17-12-16(10-9-14(17)2)19-13-15-7-5-4-6-8-15;1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13/h8-10,14,19H,2-7,11-13,15H2,1H3;8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7,10-11,15H,3-6,8-9,12-13H2,1-2H3;9-10,12,15H,3-8,11,13H2,1-2H3;10-12,15H,3-9,13H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3
InChIKeyOAVDNUQJOYXLNE-UHFFFAOYSA-N
MW1840.69 g/mol
LogP31.24
Rot. Bonds42

About 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane

1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane (PubChem CID 159940625) has the molecular formula C117H178O16 and a molecular weight of 1840.69 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane
PubChem CID159940625
Molecular FormulaC117H178O16
Molecular Weight1840.69 g/mol
Exact Mass1839.31
IUPAC Name1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane
SMILESCCCOc1cc(C)cc(OCC2CCCCC2)c1.CCCOc1cc(OCC2CCCCC2)ccc1C.CCCOc1cccc(OCC2(O)CCCCCCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1C.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1
InChIInChI=1S/C18H28O3.C18H28O2.3C17H26O2.C15H22O3.C15H22O2/c1-2-13-20-16-9-8-10-17(14-16)21-15-18(19)11-6-4-3-5-7-12-18;1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-3-12-18-16-10-7-11-17(14(16)2)19-13-15-8-5-4-6-9-15;1-3-11-18-17-12-16(10-9-14(17)2)19-13-15-7-5-4-6-8-15;1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13/h8-10,14,19H,2-7,11-13,15H2,1H3;8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7,10-11,15H,3-6,8-9,12-13H2,1-2H3;9-10,12,15H,3-8,11,13H2,1-2H3;10-12,15H,3-9,13H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3
InChIKeyOAVDNUQJOYXLNE-UHFFFAOYSA-N
XLogP31.24
TPSA158.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.69
LogP ≤ 531.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane with MolForge

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Related Compounds

1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane
CID 162046468
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
N-[2-(3-methylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799632
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene
CID 160517184

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane?
The IUPAC name of 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane (CID 159940625) is 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane.
What is the SMILES notation for 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane?
The canonical SMILES for 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane is CCCOc1cc(C)cc(OCC2CCCCC2)c1.CCCOc1cc(OCC2CCCCC2)ccc1C.CCCOc1cccc(OCC2(O)CCCCCCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1C.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane?
The InChIKey is OAVDNUQJOYXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3.C18H28O2.3C17H26O2.C15H22O3.C15H22O2/c1-2-13-20-16-9-8-10-17(14-16)21-15-18(19)11-6-4-3-5-7-12-18;1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-3-12-18-16-10-7-11-17(14(16)2)19-13-15-8-5-4-6-9-15;1-3-11-18-17-12-16(10-9-14(17)2)19-13-15-7-5-4-6-8-15;1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13/h8-10,14,19H,2-7,11-13,15H2,1H3;8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7,10-11,15H,3-6,8-9,12-13H2,1-2H3;9-10,12,15H,3-8,11,13H2,1-2H3;10-12,15H,3-9,13H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane?
1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane has a molecular weight of 1840.69 g/mol, XLogP of 31.24, 42 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane is sourced from PubChem (CID 159940625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).