3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid

C10H10O2 — CID 105431846

IUPAC3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
SMILESCc1ccc2c(c1)CC2C(=O)O
InChIInChI=1S/C10H10O2/c1-6-2-3-8-7(4-6)5-9(8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyWVILCZPIPZLVRJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.72
Rot. Bonds1

About 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid

3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid (PubChem CID 105431846) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid.

Molecular Properties

Compound Name3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
PubChem CID105431846
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
SMILESCc1ccc2c(c1)CC2C(=O)O
InChIInChI=1S/C10H10O2/c1-6-2-3-8-7(4-6)5-9(8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyWVILCZPIPZLVRJ-UHFFFAOYSA-N
XLogP1.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82125637
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
6,8-dimethyl-2-oxo-3,4-dihydrochromene-3-carboxylic acid
CID 24972839
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 53408438
3-[[3-(2,6-dimethylphenyl)phenyl]methoxy]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 57325673
2-(3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622890
N-methoxy-N,5-dimethyl-2,3-dihydro-1H-indene-1-carboxamide
CID 156847397
6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 165442221

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid?
The IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid (CID 105431846) is 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid.
What is the SMILES notation for 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid?
The canonical SMILES for 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid is Cc1ccc2c(c1)CC2C(=O)O.
What is the InChIKey of 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid?
The InChIKey is WVILCZPIPZLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-2-3-8-7(4-6)5-9(8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12).
What are the key properties of 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid?
3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid has a molecular weight of 162.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid is sourced from PubChem (CID 105431846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).