(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid

C18H16O2 — CID 23269973

IUPAC(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H16O2/c19-16(20)12-11-15-17(13-7-3-1-4-8-13)18(15)14-9-5-2-6-10-14/h1-12,15,17-18H,(H,19,20)/b12-11+
InChIKeyPKBFUHIHOAUDKM-VAWYXSNFSA-N
MW264.32 g/mol
LogP3.82
Rot. Bonds4

About (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid

(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid (PubChem CID 23269973) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid
PubChem CID23269973
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H16O2/c19-16(20)12-11-15-17(13-7-3-1-4-8-13)18(15)14-9-5-2-6-10-14/h1-12,15,17-18H,(H,19,20)/b12-11+
InChIKeyPKBFUHIHOAUDKM-VAWYXSNFSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid (CID 23269973) is (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid is O=C(O)/C=C/C1C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid?
The InChIKey is PKBFUHIHOAUDKM-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16O2/c19-16(20)12-11-15-17(13-7-3-1-4-8-13)18(15)14-9-5-2-6-10-14/h1-12,15,17-18H,(H,19,20)/b12-11+.
What are the key properties of (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid?
(E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-diphenylcyclopropyl)prop-2-enoic acid is sourced from PubChem (CID 23269973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).