1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C12H14O3 — CID 131320664

IUPAC1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-11(2)7-12(11,10(14)15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyAOZMYLOSNCLWRR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.14
Rot. Bonds2

About 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 131320664) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID131320664
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-11(2)7-12(11,10(14)15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyAOZMYLOSNCLWRR-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-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-(3,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131432400
3-(3-hydroxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 84727070
2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
CID 117258805
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 105463774
3-(1-amino-3-hydroxy-3-methylcyclobutyl)phenol
CID 115019423
1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487416
(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105475639
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
3-(1-aminocyclopropyl)phenol
CID 55296554

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 131320664) is 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)CC1(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is AOZMYLOSNCLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-11(2)7-12(11,10(14)15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 131320664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).