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

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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).