(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one

C18H18O2 — CID 135075979

IUPAC(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O2/c1-3-14(15-9-11-17(20-2)12-10-15)13-18(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b14-13+
InChIKeyKFHRNCHLCGTTBS-BUHFOSPRSA-N
MW266.34 g/mol
LogP4.37
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one (PubChem CID 135075979) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
PubChem CID135075979
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O2/c1-3-14(15-9-11-17(20-2)12-10-15)13-18(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b14-13+
InChIKeyKFHRNCHLCGTTBS-BUHFOSPRSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.37
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

3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
CID 135086786
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
5-(4-methoxyphenyl)hepta-2,4-dienoic acid
CID 54040855
(E)-3-ethoxy-3-methoxy-1-(4-methoxyphenyl)prop-2-en-1-one
CID 59487970

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one (CID 135075979) is (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one is CC/C(=C\C(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one?
The InChIKey is KFHRNCHLCGTTBS-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-14(15-9-11-17(20-2)12-10-15)13-18(19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b14-13+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one is sourced from PubChem (CID 135075979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).