8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid

C19H18O2 — CID 58407165

IUPAC8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(C)c1
InChIInChI=1S/C19H18O2/c1-12-6-9-16(13(2)10-12)17-5-3-4-14-7-8-15(19(20)21)11-18(14)17/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyBPOSTEQPIALVLY-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.38
Rot. Bonds2

About 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid

8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 58407165) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID58407165
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(C)c1
InChIInChI=1S/C19H18O2/c1-12-6-9-16(13(2)10-12)17-5-3-4-14-7-8-15(19(20)21)11-18(14)17/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyBPOSTEQPIALVLY-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (CID 58407165) is 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is Cc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is BPOSTEQPIALVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-6-9-16(13(2)10-12)17-5-3-4-14-7-8-15(19(20)21)11-18(14)17/h5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58407165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).