8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid

C18H15ClO2 — CID 58406897

IUPAC8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc(Cl)cc1C1=CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H15ClO2/c1-11-5-8-14(19)10-16(11)15-4-2-3-12-6-7-13(18(20)21)9-17(12)15/h4-10H,2-3H2,1H3,(H,20,21)
InChIKeyHTBAJPYMZCSIIN-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.72
Rot. Bonds2

About 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid

8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 58406897) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID58406897
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc(Cl)cc1C1=CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H15ClO2/c1-11-5-8-14(19)10-16(11)15-4-2-3-12-6-7-13(18(20)21)9-17(12)15/h4-10H,2-3H2,1H3,(H,20,21)
InChIKeyHTBAJPYMZCSIIN-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-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

Bexarotene
CID 82146
Arotinoid acid
CID 5289501
2-(4'-Chlorobenzoyl)benzoic acid
CID 66564
3-Chloro-2-methylbenzoic acid
CID 82010
4-Chlorophthalic acid
CID 6964
5-Chloro-2-methylbenzoic acid
CID 82009
4-Chloro-2-methylbenzoic acid
CID 348269
(Z)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
CID 5354022
Benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethenyl)-, (E)-
CID 6439770
2-Phenanthrenecarboxylic acid, 9,10-dihydro-
CID 116469
4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
Benzoic acid, 4-(1-methyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethenyl)-, (E)-
CID 6440346

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (CID 58406897) is 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is Cc1ccc(Cl)cc1C1=CCCc2ccc(C(=O)O)cc21.
What is the InChIKey of 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is HTBAJPYMZCSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-11-5-8-14(19)10-16(11)15-4-2-3-12-6-7-13(18(20)21)9-17(12)15/h4-10H,2-3H2,1H3,(H,20,21).
What are the key properties of 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 298.77 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58406897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).