4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid

C17H14O2 — CID 24972595

IUPAC4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H14O2/c18-17(19)14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,18,19)
InChIKeyHVHHZAKONVCISG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.38
Rot. Bonds2

About 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid

4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid (PubChem CID 24972595) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid
PubChem CID24972595
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H14O2/c18-17(19)14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,18,19)
InChIKeyHVHHZAKONVCISG-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid (CID 24972595) is 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid is O=C(O)C1C=C(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid?
The InChIKey is HVHHZAKONVCISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-17(19)14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,18,19).
What are the key properties of 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid?
4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 24972595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).