2-(2-phenylethyl)naphthalene-1-carboxylic acid

C19H16O2 — CID 18956874

IUPAC2-(2-phenylethyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(CCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H16O2/c20-19(21)18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyIVMOHVGBCPOZFE-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-phenylethyl)naphthalene-1-carboxylic acid

2-(2-phenylethyl)naphthalene-1-carboxylic acid (PubChem CID 18956874) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-phenylethyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethyl)naphthalene-1-carboxylic acid
PubChem CID18956874
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2-(2-phenylethyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(CCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H16O2/c20-19(21)18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyIVMOHVGBCPOZFE-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentylnaphthalene-1-carboxylic acid
CID 67806914
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
CID 157400114
2-borononaphthalene-1-carboxylic acid
CID 67024077
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
2-butylanthracene-1-carboxylic acid
CID 14598495
2,3-dibenzylnaphthalene-1-carboxylic acid
CID 141413353
zinc;bis(1-carboxynaphthalen-2-olate);dihydrate
CID 54746329
2-(triazol-1-ylmethyl)naphthalene-1-carboxylic acid
CID 68954128

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(2-phenylethyl)naphthalene-1-carboxylic acid (CID 18956874) is 2-(2-phenylethyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(2-phenylethyl)naphthalene-1-carboxylic acid is O=C(O)c1c(CCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(2-phenylethyl)naphthalene-1-carboxylic acid?
The InChIKey is IVMOHVGBCPOZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-19(21)18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h1-9,12-13H,10-11H2,(H,20,21).
What are the key properties of 2-(2-phenylethyl)naphthalene-1-carboxylic acid?
2-(2-phenylethyl)naphthalene-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 18956874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).