4-ethenylbenzoic acid;styrene

C17H16O2 — CID 22341601

IUPAC4-ethenylbenzoic acid;styrene
SMILESC=Cc1ccc(C(=O)O)cc1.C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C8H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-8-6-4-3-5-7-8/h2-6H,1H2,(H,10,11);2-7H,1H2
InChIKeyRSTLNLGZPBJCPW-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.36
Rot. Bonds3

About 4-ethenylbenzoic acid;styrene

4-ethenylbenzoic acid;styrene (PubChem CID 22341601) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-ethenylbenzoic acid;styrene.

Molecular Properties

Compound Name4-ethenylbenzoic acid;styrene
PubChem CID22341601
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-ethenylbenzoic acid;styrene
SMILESC=Cc1ccc(C(=O)O)cc1.C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C8H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-8-6-4-3-5-7-8/h2-6H,1H2,(H,10,11);2-7H,1H2
InChIKeyRSTLNLGZPBJCPW-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzoic acid;styrene?
The IUPAC name of 4-ethenylbenzoic acid;styrene (CID 22341601) is 4-ethenylbenzoic acid;styrene.
What is the SMILES notation for 4-ethenylbenzoic acid;styrene?
The canonical SMILES for 4-ethenylbenzoic acid;styrene is C=Cc1ccc(C(=O)O)cc1.C=Cc1ccccc1.
What is the InChIKey of 4-ethenylbenzoic acid;styrene?
The InChIKey is RSTLNLGZPBJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C8H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-8-6-4-3-5-7-8/h2-6H,1H2,(H,10,11);2-7H,1H2.
What are the key properties of 4-ethenylbenzoic acid;styrene?
4-ethenylbenzoic acid;styrene has a molecular weight of 252.31 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzoic acid;styrene is sourced from PubChem (CID 22341601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).