2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid

C14H14O3 — CID 151314460

IUPAC2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid
SMILESCOC1(c2ccccc2C(=O)O)C=CC=CC1
InChIInChI=1S/C14H14O3/c1-17-14(9-5-2-6-10-14)12-8-4-3-7-11(12)13(15)16/h2-9H,10H2,1H3,(H,15,16)
InChIKeyOFCRAOYOGMNKBZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.74
Rot. Bonds3

About 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid

2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid (PubChem CID 151314460) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid
PubChem CID151314460
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid
SMILESCOC1(c2ccccc2C(=O)O)C=CC=CC1
InChIInChI=1S/C14H14O3/c1-17-14(9-5-2-6-10-14)12-8-4-3-7-11(12)13(15)16/h2-9H,10H2,1H3,(H,15,16)
InChIKeyOFCRAOYOGMNKBZ-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2-phenylphenyl)cyclohexa-2,4-diene-1-carboxylate
CID 175165492
bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
CID 67426947
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
CID 154577525
CID 66717184
CID 66717184
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-hydroxybenzoic acid;methyl acetate
CID 157381538
dimethyl cyclohexa-2,4-diene-1,1-dicarboxylate
CID 12865894

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid?
The IUPAC name of 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid (CID 151314460) is 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid.
What is the SMILES notation for 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid?
The canonical SMILES for 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid is COC1(c2ccccc2C(=O)O)C=CC=CC1.
What is the InChIKey of 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid?
The InChIKey is OFCRAOYOGMNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-14(9-5-2-6-10-14)12-8-4-3-7-11(12)13(15)16/h2-9H,10H2,1H3,(H,15,16).
What are the key properties of 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid?
2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid is sourced from PubChem (CID 151314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).