(1S)-2,2-diphenylcyclopropane-1-carboxylic acid

C16H14O2 — CID 787533

IUPAC(1S)-2,2-diphenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)/t14-/m1/s1
InChIKeyYITOQLBHYDWJBQ-CQSZACIVSA-N
MW238.29 g/mol
LogP3.08
Rot. Bonds3

About (1S)-2,2-diphenylcyclopropane-1-carboxylic acid

(1S)-2,2-diphenylcyclopropane-1-carboxylic acid (PubChem CID 787533) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1S)-2,2-diphenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-diphenylcyclopropane-1-carboxylic acid
PubChem CID787533
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(1S)-2,2-diphenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)/t14-/m1/s1
InChIKeyYITOQLBHYDWJBQ-CQSZACIVSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-diphenylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-diphenylcyclopropane-1-carboxylic acid (CID 787533) is (1S)-2,2-diphenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-diphenylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-diphenylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2,2-diphenylcyclopropane-1-carboxylic acid?
The InChIKey is YITOQLBHYDWJBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (1S)-2,2-diphenylcyclopropane-1-carboxylic acid?
(1S)-2,2-diphenylcyclopropane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-diphenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 787533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).