1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C17H16O2 — CID 18477073

IUPAC1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19)15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-9,15-16H,10-11H2,(H,18,19)
InChIKeyFPBPVLHKLNMULL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.47
Rot. Bonds2

About 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 18477073) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID18477073
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19)15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-9,15-16H,10-11H2,(H,18,19)
InChIKeyFPBPVLHKLNMULL-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride
CID 70168842
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 69102242
(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate
CID 134096597
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10542989
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
(1R,2R)-1-methyl-N-[[4-[[[(1R,2R)-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 155468589

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 18477073) is 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is FPBPVLHKLNMULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19)15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-9,15-16H,10-11H2,(H,18,19).
What are the key properties of 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 18477073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).