(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid

C18H16O3 — CID 71134933

IUPAC(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)c1ccc(C2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C18H16O3/c19-17(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)15-11-16(15)18(20)21/h1-9,15-16H,10-11H2,(H,20,21)/t15?,16-/m1/s1
InChIKeyNGXZWWZRUFALQO-OEMAIJDKSA-N
MW280.32 g/mol
LogP3.30
Rot. Bonds5

About (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid

(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 71134933) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID71134933
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)c1ccc(C2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C18H16O3/c19-17(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)15-11-16(15)18(20)21/h1-9,15-16H,10-11H2,(H,20,21)/t15?,16-/m1/s1
InChIKeyNGXZWWZRUFALQO-OEMAIJDKSA-N
XLogP3.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid (CID 71134933) is (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid is O=C(Cc1ccccc1)c1ccc(C2C[C@H]2C(=O)O)cc1.
What is the InChIKey of (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NGXZWWZRUFALQO-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H16O3/c19-17(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)15-11-16(15)18(20)21/h1-9,15-16H,10-11H2,(H,20,21)/t15?,16-/m1/s1.
What are the key properties of (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid?
(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71134933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).