2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid

C14H18O3 — CID 175258328

IUPAC2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCCCC1CO
InChIInChI=1S/C14H18O3/c15-10-12-8-4-5-9-14(12,13(16)17)11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,16,17)
InChIKeyFWWPLSRWAJHQJO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid

2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid (PubChem CID 175258328) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
PubChem CID175258328
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCCCC1CO
InChIInChI=1S/C14H18O3/c15-10-12-8-4-5-9-14(12,13(16)17)11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,16,17)
InChIKeyFWWPLSRWAJHQJO-UHFFFAOYSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
2-(2-amino-3-methyl-2-propan-2-ylbutyl)-1-phenylcyclopentane-1-carboxylic acid
CID 68914356
2-fluoro-1-phenylcyclohexane-1-carboxamide
CID 68810873
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
cis-(1S,2R)-2-hydroxy-1-naphthalen-2-ylcyclohexane-1-carboxylic acid
CID 68673102
trans-(1R,2R)-1-(3-chlorophenyl)-2-hydroxycyclohexane-1-carboxylic acid
CID 68674879
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylcyclopentane-1-carboxylic acid
CID 67252878
methyl 2-[(1S,2R)-2-hydroxy-2-phenylcyclohexyl]acetate
CID 100982423
1-(2-chlorophenyl)-N-methylmethanamine;cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 172826584
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 68673384

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid (CID 175258328) is 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid is O=C(O)C1(c2ccccc2)CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid?
The InChIKey is FWWPLSRWAJHQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-10-12-8-4-5-9-14(12,13(16)17)11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,16,17).
What are the key properties of 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid?
2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid has a molecular weight of 234.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 175258328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).