1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid

C20H16O2 — CID 162681591

IUPAC1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1CC=Cc1ccccc1
InChIInChI=1S/C20H16O2/c21-20(22)19-14-13-16-10-4-5-11-17(16)18(19)12-6-9-15-7-2-1-3-8-15/h1-11,13-14H,12H2,(H,21,22)
InChIKeyNHTLZFOIPSRBHY-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.79
Rot. Bonds4

About 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid

1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid (PubChem CID 162681591) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid
PubChem CID162681591
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1CC=Cc1ccccc1
InChIInChI=1S/C20H16O2/c21-20(22)19-14-13-16-10-4-5-11-17(16)18(19)12-6-9-15-7-2-1-3-8-15/h1-11,13-14H,12H2,(H,21,22)
InChIKeyNHTLZFOIPSRBHY-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82146
Arotinoid acid
CID 5289501
9-Anthracenecarboxylic acid
CID 2201
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
1-Naphthoic acid
CID 6847
2,6-Naphthalenedicarboxylic acid
CID 14357
3,4-Dimethylbenzoic acid
CID 12073
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2-Naphthoic acid
CID 7123
Vedaprofen
CID 72158
Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
2-Naphthaleneacetic acid
CID 11393

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid (CID 162681591) is 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1CC=Cc1ccccc1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid?
The InChIKey is NHTLZFOIPSRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c21-20(22)19-14-13-16-10-4-5-11-17(16)18(19)12-6-9-15-7-2-1-3-8-15/h1-11,13-14H,12H2,(H,21,22).
What are the key properties of 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid?
1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 162681591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).