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

C151H240O23 — CID 160693710

IUPAC4-[(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
SMILESCCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC(CCC)CCC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1.CCCOc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C18H30O3.C18H30O2.C17H26O3.C17H28O3.C17H26O2.C17H28O2.C16H24O3.C16H24O2.C15H24O3/c1-4-8-17(19)15-9-7-10-16(13-15)21-14-18(20,11-5-2)12-6-3;1-4-7-9-16-10-8-11-17(14-16)20-15-18(19,12-5-2)13-6-3;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-2-12-18-16-10-7-11-17(13-16)19-14-15-8-5-3-4-6-9-15;1-4-8-15(9-5-2)14-19-17-11-7-10-16(13-17)18-12-6-3;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3/h7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;8,10-11,14,19H,4-7,9,12-13,15H2,1-3H3;7-9,13,18H,2-6,10-12,14H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3;6-8,12,17H,2-5,9-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;7-9,11,16H,4-6,10,12H2,1-3H3
InChIKeyRPSVKBBVMXIEFL-UHFFFAOYSA-N
MW2423.56 g/mol
LogP38.38
Rot. Bonds72

About 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

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 (PubChem CID 160693710) has the molecular formula C151H240O23 and a molecular weight of 2423.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID160693710
Molecular FormulaC151H240O23
Molecular Weight2423.56 g/mol
Exact Mass2421.76
IUPAC Name4-[(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
SMILESCCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC(CCC)CCC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1.CCCOc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C18H30O3.C18H30O2.C17H26O3.C17H28O3.C17H26O2.C17H28O2.C16H24O3.C16H24O2.C15H24O3/c1-4-8-17(19)15-9-7-10-16(13-15)21-14-18(20,11-5-2)12-6-3;1-4-7-9-16-10-8-11-17(14-16)20-15-18(19,12-5-2)13-6-3;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-2-12-18-16-10-7-11-17(13-16)19-14-15-8-5-3-4-6-9-15;1-4-8-15(9-5-2)14-19-17-11-7-10-16(13-17)18-12-6-3;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3/h7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;8,10-11,14,19H,4-7,9,12-13,15H2,1-3H3;7-9,13,18H,2-6,10-12,14H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3;6-8,12,17H,2-5,9-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;7-9,11,16H,4-6,10,12H2,1-3H3
InChIKeyRPSVKBBVMXIEFL-UHFFFAOYSA-N
XLogP38.38
TPSA289.29 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds72
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002423.56
LogP ≤ 538.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(O)c1cccc(OCC(O)(CCC)CCC)c1.CCCCc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC(CCC)CCC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CCCCC2)c1.CCCOc1cccc(OCC2CCCCCC2)c1.
What is the InChIKey of 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?
The InChIKey is RPSVKBBVMXIEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3.C18H30O2.C17H26O3.C17H28O3.C17H26O2.C17H28O2.C16H24O3.C16H24O2.C15H24O3/c1-4-8-17(19)15-9-7-10-16(13-15)21-14-18(20,11-5-2)12-6-3;1-4-7-9-16-10-8-11-17(14-16)20-15-18(19,12-5-2)13-6-3;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-2-12-18-16-10-7-11-17(13-16)19-14-15-8-5-3-4-6-9-15;1-4-8-15(9-5-2)14-19-17-11-7-10-16(13-17)18-12-6-3;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3/h7,9-10,13,17,19-20H,4-6,8,11-12,14H2,1-3H3;8,10-11,14,19H,4-7,9,12-13,15H2,1-3H3;7-9,13,18H,2-6,10-12,14H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;7,10-11,13,15H,2-6,8-9,12,14H2,1H3;7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3;6-8,12,17H,2-5,9-11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3;7-9,11,16H,4-6,10,12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2423.56 g/mol, XLogP of 38.38, 72 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160693710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).