2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid

C14H14O2 — CID 23025177

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CC2C=CC1C2
InChIInChI=1S/C14H14O2/c15-14(16)12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2,(H,15,16)
InChIKeySUFVPDCWOHSTMN-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.06
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid

2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid (PubChem CID 23025177) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
PubChem CID23025177
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CC2C=CC1C2
InChIInChI=1S/C14H14O2/c15-14(16)12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2,(H,15,16)
InChIKeySUFVPDCWOHSTMN-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorocyclopropyl)benzoic acid
CID 115015568
2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid
CID 4165398
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
dimethyl 3-(2-bicyclo[2.2.1]hept-5-enyl)benzene-1,2-dicarboxylate
CID 69028868
2-[(4R,5R)-5-(2-carboxyphenyl)dithian-4-yl]benzoic acid
CID 172826121
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
2-(9H-fluoren-9-yl)benzoic acid
CID 12794496
2-[2-(difluoromethyl)cyclohexyl]benzoic acid
CID 115047308
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243
2-[4-(2-bicyclo[2.2.1]hept-5-enyl)anthracen-2-yl]acetic acid
CID 87506304
2-(dioxolan-4-yl)benzoic acid
CID 87618299
2-(3,5-dioxopyrazolidin-4-yl)benzoic acid
CID 82045448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid (CID 23025177) is 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid is O=C(O)c1ccccc1C1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid?
The InChIKey is SUFVPDCWOHSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-14(16)12-4-2-1-3-11(12)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid?
2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid has a molecular weight of 214.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid is sourced from PubChem (CID 23025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).