2,3-bis(ethenyl)-6-phenylbenzoic acid

C17H14O2 — CID 66702519

IUPAC2,3-bis(ethenyl)-6-phenylbenzoic acid
SMILESC=Cc1ccc(-c2ccccc2)c(C(=O)O)c1C=C
InChIInChI=1S/C17H14O2/c1-3-12-10-11-15(13-8-6-5-7-9-13)16(17(18)19)14(12)4-2/h3-11H,1-2H2,(H,18,19)
InChIKeyHYFSQNRBKPYVBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.34
Rot. Bonds4

About 2,3-bis(ethenyl)-6-phenylbenzoic acid

2,3-bis(ethenyl)-6-phenylbenzoic acid (PubChem CID 66702519) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-phenylbenzoic acid.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-phenylbenzoic acid
PubChem CID66702519
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2,3-bis(ethenyl)-6-phenylbenzoic acid
SMILESC=Cc1ccc(-c2ccccc2)c(C(=O)O)c1C=C
InChIInChI=1S/C17H14O2/c1-3-12-10-11-15(13-8-6-5-7-9-13)16(17(18)19)14(12)4-2/h3-11H,1-2H2,(H,18,19)
InChIKeyHYFSQNRBKPYVBO-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-formyl-6-phenylbenzoic acid
CID 18003803
4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane
CID 142316868
2-ethenyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 175572544
2-ethenyl-4-phenylbenzene-1,3-diol
CID 151131701
1-azulen-1-ylazulene;prop-2-enoic acid
CID 175754625
2-benzoyl-6-phenylbenzoic acid
CID 174388121
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
2-ethenylbenzoic acid;europium
CID 174925184
2-phenacyl-6-phenylbenzoic acid
CID 59608656
4-ethenyl-3-phenylfuran-2-carboxylic acid
CID 23062333

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-phenylbenzoic acid?
The IUPAC name of 2,3-bis(ethenyl)-6-phenylbenzoic acid (CID 66702519) is 2,3-bis(ethenyl)-6-phenylbenzoic acid.
What is the SMILES notation for 2,3-bis(ethenyl)-6-phenylbenzoic acid?
The canonical SMILES for 2,3-bis(ethenyl)-6-phenylbenzoic acid is C=Cc1ccc(-c2ccccc2)c(C(=O)O)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-6-phenylbenzoic acid?
The InChIKey is HYFSQNRBKPYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-3-12-10-11-15(13-8-6-5-7-9-13)16(17(18)19)14(12)4-2/h3-11H,1-2H2,(H,18,19).
What are the key properties of 2,3-bis(ethenyl)-6-phenylbenzoic acid?
2,3-bis(ethenyl)-6-phenylbenzoic acid has a molecular weight of 250.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-phenylbenzoic acid is sourced from PubChem (CID 66702519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).