2-phenoxy-3-prop-1-enylbenzoic acid

C16H14O3 — CID 174630451

IUPAC2-phenoxy-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C16H14O3/c1-2-7-12-8-6-11-14(16(17)18)15(12)19-13-9-4-3-5-10-13/h2-11H,1H3,(H,17,18)
InChIKeyGWVTVAMZUWFSQK-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.21
Rot. Bonds4

About 2-phenoxy-3-prop-1-enylbenzoic acid

2-phenoxy-3-prop-1-enylbenzoic acid (PubChem CID 174630451) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-phenoxy-3-prop-1-enylbenzoic acid.

Molecular Properties

Compound Name2-phenoxy-3-prop-1-enylbenzoic acid
PubChem CID174630451
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-phenoxy-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C16H14O3/c1-2-7-12-8-6-11-14(16(17)18)15(12)19-13-9-4-3-5-10-13/h2-11H,1H3,(H,17,18)
InChIKeyGWVTVAMZUWFSQK-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
3-(2-oxoethoxy)-2-phenoxybenzoic acid
CID 88992897
2-phenoxy-3-propoxybenzoic acid
CID 67826110
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
CID 138738575
2-(4-acetylphenoxy)-3-methylbenzoic acid
CID 61395933
5-methyl-2-(2-prop-1-enylphenoxy)benzoic acid
CID 76996043

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-prop-1-enylbenzoic acid?
The IUPAC name of 2-phenoxy-3-prop-1-enylbenzoic acid (CID 174630451) is 2-phenoxy-3-prop-1-enylbenzoic acid.
What is the SMILES notation for 2-phenoxy-3-prop-1-enylbenzoic acid?
The canonical SMILES for 2-phenoxy-3-prop-1-enylbenzoic acid is CC=Cc1cccc(C(=O)O)c1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-prop-1-enylbenzoic acid?
The InChIKey is GWVTVAMZUWFSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-7-12-8-6-11-14(16(17)18)15(12)19-13-9-4-3-5-10-13/h2-11H,1H3,(H,17,18).
What are the key properties of 2-phenoxy-3-prop-1-enylbenzoic acid?
2-phenoxy-3-prop-1-enylbenzoic acid has a molecular weight of 254.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-prop-1-enylbenzoic acid is sourced from PubChem (CID 174630451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).