2-phenylmethoxy-3-prop-1-enylbenzoic acid

C17H16O3 — CID 71318162

IUPAC2-phenylmethoxy-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C17H16O3/c1-2-7-14-10-6-11-15(17(18)19)16(14)20-12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyKAMHMZSHGUYPGP-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.00
Rot. Bonds5

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

2-phenylmethoxy-3-prop-1-enylbenzoic acid (PubChem CID 71318162) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-phenylmethoxy-3-prop-1-enylbenzoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-3-prop-1-enylbenzoic acid
PubChem CID71318162
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-phenylmethoxy-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C17H16O3/c1-2-7-14-10-6-11-15(17(18)19)16(14)20-12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyKAMHMZSHGUYPGP-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
1,3-dichloro-2-[2-phenylmethoxy-3-[(Z)-prop-1-enyl]phenyl]benzene
CID 69256865
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
3-(3-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 76899319
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
CID 58238538
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-prop-1-enylbenzoic acid?
The IUPAC name of 2-phenylmethoxy-3-prop-1-enylbenzoic acid (CID 71318162) is 2-phenylmethoxy-3-prop-1-enylbenzoic acid.
What is the SMILES notation for 2-phenylmethoxy-3-prop-1-enylbenzoic acid?
The canonical SMILES for 2-phenylmethoxy-3-prop-1-enylbenzoic acid is CC=Cc1cccc(C(=O)O)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-prop-1-enylbenzoic acid?
The InChIKey is KAMHMZSHGUYPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-7-14-10-6-11-15(17(18)19)16(14)20-12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of 2-phenylmethoxy-3-prop-1-enylbenzoic acid?
2-phenylmethoxy-3-prop-1-enylbenzoic acid has a molecular weight of 268.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-prop-1-enylbenzoic acid is sourced from PubChem (CID 71318162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).