8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid

C17H14O3 — CID 58406938

IUPAC8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(c1ccccc1O)=CCC2
InChIInChI=1S/C17H14O3/c18-16-7-2-1-5-14(16)13-6-3-4-11-8-9-12(17(19)20)10-15(11)13/h1-2,5-10,18H,3-4H2,(H,19,20)
InChIKeyIRRRWCFLMVZYNZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.47
Rot. Bonds2

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

8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 58406938) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID58406938
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(c1ccccc1O)=CCC2
InChIInChI=1S/C17H14O3/c18-16-7-2-1-5-14(16)13-6-3-4-11-8-9-12(17(19)20)10-15(11)13/h1-2,5-10,18H,3-4H2,(H,19,20)
InChIKeyIRRRWCFLMVZYNZ-UHFFFAOYSA-N
XLogP3.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
8-(2-fluoro-3-isocyanophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406535
8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406897
8-[3-(hydroxymethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407073
8-(3-isocyanophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407546
8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407554
8-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406773
8-(3,5-dichloro-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylic acid;hydrochloride
CID 158967424
5-(2-methylphenyl)-2,3-dihydro-1-benzoxepine-7-carboxylic acid
CID 58406996
N-(diaminomethylidene)-8-[2-(hydroxy-dimethyl-oxo-λ6-sulfanyl)phenyl]-5,6-dihydronaphthalene-2-carboxamide
CID 146033407
8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406961
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid (CID 58406938) is 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(c1ccccc1O)=CCC2.
What is the InChIKey of 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is IRRRWCFLMVZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-7-2-1-5-14(16)13-6-3-4-11-8-9-12(17(19)20)10-15(11)13/h1-2,5-10,18H,3-4H2,(H,19,20).
What are the key properties of 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58406938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).