1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol

C16H24O3 — CID 65213913

IUPAC1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
SMILESCc1ccc(OCC2(O)CCCCC2)c([C@@H](C)O)c1
InChIInChI=1S/C16H24O3/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,17-18H,3-5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCLWJVFOFBBSOLH-CYBMUJFWSA-N
MW264.37 g/mol
LogP3.12
Rot. Bonds4

About 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol

1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol (PubChem CID 65213913) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
PubChem CID65213913
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
SMILESCc1ccc(OCC2(O)CCCCC2)c([C@@H](C)O)c1
InChIInChI=1S/C16H24O3/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,17-18H,3-5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCLWJVFOFBBSOLH-CYBMUJFWSA-N
XLogP3.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
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
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol (CID 65213913) is 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol is Cc1ccc(OCC2(O)CCCCC2)c([C@@H](C)O)c1.
What is the InChIKey of 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The InChIKey is CLWJVFOFBBSOLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,17-18H,3-5,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).