2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid

C20H16O2 — CID 142689908

IUPAC2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2cc3ccccc3cc2C1
InChIInChI=1S/C20H16O2/c21-19(22)20(18-8-2-1-3-9-18)12-16-10-14-6-4-5-7-15(14)11-17(16)13-20/h1-11H,12-13H2,(H,21,22)
InChIKeyJKNQHVDPHLEWKS-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.96
Rot. Bonds2

About 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid

2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid (PubChem CID 142689908) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid
PubChem CID142689908
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2cc3ccccc3cc2C1
InChIInChI=1S/C20H16O2/c21-19(22)20(18-8-2-1-3-9-18)12-16-10-14-6-4-5-7-15(14)11-17(16)13-20/h1-11H,12-13H2,(H,21,22)
InChIKeyJKNQHVDPHLEWKS-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid?
The IUPAC name of 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid (CID 142689908) is 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid is O=C(O)C1(c2ccccc2)Cc2cc3ccccc3cc2C1.
What is the InChIKey of 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid?
The InChIKey is JKNQHVDPHLEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c21-19(22)20(18-8-2-1-3-9-18)12-16-10-14-6-4-5-7-15(14)11-17(16)13-20/h1-11H,12-13H2,(H,21,22).
What are the key properties of 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid?
2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid is sourced from PubChem (CID 142689908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).