2-phenyl-1,3-dihydroindene-2-carboxylic acid

C16H14O2 — CID 15055778

IUPAC2-phenyl-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C16H14O2/c17-15(18)16(14-8-2-1-3-9-14)10-12-6-4-5-7-13(12)11-16/h1-9H,10-11H2,(H,17,18)
InChIKeyBBKINZRUIDZNFC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds2

About 2-phenyl-1,3-dihydroindene-2-carboxylic acid

2-phenyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 15055778) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID15055778
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-phenyl-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C16H14O2/c17-15(18)16(14-8-2-1-3-9-14)10-12-6-4-5-7-13(12)11-16/h1-9H,10-11H2,(H,17,18)
InChIKeyBBKINZRUIDZNFC-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid
CID 142689908
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498
2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid
CID 103512867
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-(3-aminophenyl)-3-oxocyclobutane-1-carboxylic acid;hydrochloride
CID 171364010
1-(3-isocyanophenyl)cyclopropane-1-carboxylic acid
CID 123520093

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-phenyl-1,3-dihydroindene-2-carboxylic acid (CID 15055778) is 2-phenyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-phenyl-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(c2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-phenyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is BBKINZRUIDZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-15(18)16(14-8-2-1-3-9-14)10-12-6-4-5-7-13(12)11-16/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-phenyl-1,3-dihydroindene-2-carboxylic acid?
2-phenyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.81, 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-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 15055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).