(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one

C18H18O2 — CID 162676088

IUPAC(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/CCc2ccccc2)c1
InChIInChI=1S/C18H18O2/c1-20-17-12-7-11-16(14-17)18(19)13-6-5-10-15-8-3-2-4-9-15/h2-4,6-9,11-14H,5,10H2,1H3/b13-6+
InChIKeyHAOKAWNUICCIRG-AWNIVKPZSA-N
MW266.34 g/mol
LogP4.07
Rot. Bonds6

About (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one

(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one (PubChem CID 162676088) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one
PubChem CID162676088
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/CCc2ccccc2)c1
InChIInChI=1S/C18H18O2/c1-20-17-12-7-11-16(14-17)18(19)13-6-5-10-15-8-3-2-4-9-15/h2-4,6-9,11-14H,5,10H2,1H3/b13-6+
InChIKeyHAOKAWNUICCIRG-AWNIVKPZSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 126066588
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CID 2880774
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
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sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one?
The IUPAC name of (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one (CID 162676088) is (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one is COc1cccc(C(=O)/C=C/CCc2ccccc2)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one?
The InChIKey is HAOKAWNUICCIRG-AWNIVKPZSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-17-12-7-11-16(14-17)18(19)13-6-5-10-15-8-3-2-4-9-15/h2-4,6-9,11-14H,5,10H2,1H3/b13-6+.
What are the key properties of (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one?
(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one is sourced from PubChem (CID 162676088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).