1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid

C17H22O3 — CID 117113991

IUPAC1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CC3(O)CC3)cc2)CCCCC1
InChIInChI=1S/C17H22O3/c18-15(19)17(8-2-1-3-9-17)14-6-4-13(5-7-14)12-16(20)10-11-16/h4-7,20H,1-3,8-12H2,(H,18,19)
InChIKeyZCJLUAJQFUJSJV-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid

1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117113991) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
PubChem CID117113991
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CC3(O)CC3)cc2)CCCCC1
InChIInChI=1S/C17H22O3/c18-15(19)17(8-2-1-3-9-17)14-6-4-13(5-7-14)12-16(20)10-11-16/h4-7,20H,1-3,8-12H2,(H,18,19)
InChIKeyZCJLUAJQFUJSJV-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-[4-(3,3-difluoropropyl)phenyl]cyclobutane-1-carboxylic acid
CID 117388742
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid (CID 117113991) is 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccc(CC3(O)CC3)cc2)CCCCC1.
What is the InChIKey of 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZCJLUAJQFUJSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-15(19)17(8-2-1-3-9-17)14-6-4-13(5-7-14)12-16(20)10-11-16/h4-7,20H,1-3,8-12H2,(H,18,19).
What are the key properties of 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid?
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117113991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).