3-naphthalen-2-yl-3-phenylprop-2-enoic acid

C19H14O2 — CID 54114059

IUPAC3-naphthalen-2-yl-3-phenylprop-2-enoic acid
SMILESO=C(O)C=C(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O2/c20-19(21)13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21)
InChIKeyNJCIRVMRBCOUFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.36
Rot. Bonds3

About 3-naphthalen-2-yl-3-phenylprop-2-enoic acid

3-naphthalen-2-yl-3-phenylprop-2-enoic acid (PubChem CID 54114059) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-3-phenylprop-2-enoic acid
PubChem CID54114059
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name3-naphthalen-2-yl-3-phenylprop-2-enoic acid
SMILESO=C(O)C=C(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O2/c20-19(21)13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21)
InChIKeyNJCIRVMRBCOUFI-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(E)-3-(4-amino-3,5-dichlorophenyl)-3-phenylprop-2-enoic acid
CID 70403609
hexacene-2-carboxylic acid
CID 87430666
N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
CID 5377898
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3-phenylprop-2-enoic acid?
The IUPAC name of 3-naphthalen-2-yl-3-phenylprop-2-enoic acid (CID 54114059) is 3-naphthalen-2-yl-3-phenylprop-2-enoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-3-phenylprop-2-enoic acid?
The canonical SMILES for 3-naphthalen-2-yl-3-phenylprop-2-enoic acid is O=C(O)C=C(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-3-phenylprop-2-enoic acid?
The InChIKey is NJCIRVMRBCOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c20-19(21)13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,20,21).
What are the key properties of 3-naphthalen-2-yl-3-phenylprop-2-enoic acid?
3-naphthalen-2-yl-3-phenylprop-2-enoic acid has a molecular weight of 274.32 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 3-naphthalen-2-yl-3-phenylprop-2-enoic acid is sourced from PubChem (CID 54114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).