2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

C10H14O3 — CID 141058118

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESCC1C=CC=CC1(C)C(O)C(=O)O
InChIInChI=1S/C10H14O3/c1-7-5-3-4-6-10(7,2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13)
InChIKeyFENPBMBMQHOUIN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.20
Rot. Bonds2

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (PubChem CID 141058118) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
PubChem CID141058118
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESCC1C=CC=CC1(C)C(O)C(=O)O
InChIInChI=1S/C10H14O3/c1-7-5-3-4-6-10(7,2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13)
InChIKeyFENPBMBMQHOUIN-UHFFFAOYSA-N
XLogP1.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic 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

Methyl 2-(2,6-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetate
CID 148698311
2-(3,5-Difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
CID 166850727
Dihydromandelsaure
CID 54183604
[Carboxy(cyclohexa-2,4-dien-1-yl)methyl] sulfite
CID 91482824
6-Ethyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 21114733
(2R)-2-cyclohexa-2,4-dien-1-yl-2-hydroxyacetic acid
CID 54183603
2-Hydroxy-3-(4-methylbenzene-5-id-1-yl)propanoic acid;yttrium
CID 59260959
6-Ethenyl-6-ethylcyclohexa-2,4-diene-1-carboxylic acid
CID 67243766
1-(6,6-Dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
CID 67428165
(2S,4Z,6Z)-4-ethenyl-2-hydroxyocta-4,6-dienoic acid
CID 118554004
Methyl 2-cyclohexa-2,4-dien-1-yl-2-hydroxyacetate
CID 123938511
(Z,2S)-2-hydroxy-4-methylidenehept-5-enoic acid
CID 132032755

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (CID 141058118) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is CC1C=CC=CC1(C)C(O)C(=O)O.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The InChIKey is FENPBMBMQHOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-5-3-4-6-10(7,2)8(11)9(12)13/h3-8,11H,1-2H3,(H,12,13).
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 141058118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).