acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol

C17H26O3 — CID 175136847

IUPACacetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol
SMILESCC(=O)O.CC1CCC(C(C)c2ccccc2)C(O)C1
InChIInChI=1S/C15H22O.C2H4O2/c1-11-8-9-14(15(16)10-11)12(2)13-6-4-3-5-7-13;1-2(3)4/h3-7,11-12,14-16H,8-10H2,1-2H3;1H3,(H,3,4)
InChIKeyIZTCYILJGSVBOO-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.68
Rot. Bonds2

About acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol

acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol (PubChem CID 175136847) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Nameacetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol
PubChem CID175136847
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameacetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol
SMILESCC(=O)O.CC1CCC(C(C)c2ccccc2)C(O)C1
InChIInChI=1S/C15H22O.C2H4O2/c1-11-8-9-14(15(16)10-11)12(2)13-6-4-3-5-7-13;1-2(3)4/h3-7,11-12,14-16H,8-10H2,1-2H3;1H3,(H,3,4)
InChIKeyIZTCYILJGSVBOO-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-benzhydryl-3-oxobutanoate
CID 7054395
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 67919748
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
CID 12847229
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol?
The IUPAC name of acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol (CID 175136847) is acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol is CC(=O)O.CC1CCC(C(C)c2ccccc2)C(O)C1.
What is the InChIKey of acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol?
The InChIKey is IZTCYILJGSVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C2H4O2/c1-11-8-9-14(15(16)10-11)12(2)13-6-4-3-5-7-13;1-2(3)4/h3-7,11-12,14-16H,8-10H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol?
acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-methyl-2-(1-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 175136847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).