1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol

C16H24O4 — CID 82001257

IUPAC1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1ccc([C@H](C)O)c(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H24O4/c1-12(17)14-7-6-13(19-2)10-15(14)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,17-18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyVYHMJQRGZBTPHQ-LBPRGKRZSA-N
MW280.36 g/mol
LogP2.82
Rot. Bonds5

About 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol

1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol (PubChem CID 82001257) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
PubChem CID82001257
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1ccc([C@H](C)O)c(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H24O4/c1-12(17)14-7-6-13(19-2)10-15(14)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,17-18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyVYHMJQRGZBTPHQ-LBPRGKRZSA-N
XLogP2.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 82000030
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65214061
2-[1-[[2-(1-hydroxyethyl)-5-methoxyphenoxy]methyl]cyclopropyl]acetonitrile
CID 82001771
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol (CID 82001257) is 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol is COc1ccc([C@H](C)O)c(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol?
The InChIKey is VYHMJQRGZBTPHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24O4/c1-12(17)14-7-6-13(19-2)10-15(14)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,17-18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol?
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 82001257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).