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

C15H22O3 — CID 63651051

IUPAC2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCc1ccc([C@H](C)O)c(OC2CCCCC2O)c1
InChIInChI=1S/C15H22O3/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,16-17H,3-6H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyPHEPYHGCCAPSQF-XGNXJENSSA-N
MW250.34 g/mol
LogP2.73
Rot. Bonds3

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

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol (PubChem CID 63651051) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
PubChem CID63651051
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCc1ccc([C@H](C)O)c(OC2CCCCC2O)c1
InChIInChI=1S/C15H22O3/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,16-17H,3-6H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyPHEPYHGCCAPSQF-XGNXJENSSA-N
XLogP2.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
CID 107720122
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
CID 61379750
2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol (CID 63651051) is 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol is Cc1ccc([C@H](C)O)c(OC2CCCCC2O)c1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol?
The InChIKey is PHEPYHGCCAPSQF-XGNXJENSSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,16-17H,3-6H2,1-2H3/t11-,13?,14?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol?
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol is sourced from PubChem (CID 63651051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).