(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one

C19H20O2 — CID 71724298

IUPAC(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C19H20O2/c1-14(2)17-13-15(10-12-19(17)21-3)9-11-18(20)16-7-5-4-6-8-16/h4-14H,1-3H3/b11-9+
InChIKeyFKNSYHGRSGCGLC-PKNBQFBNSA-N
MW280.37 g/mol
LogP4.71
Rot. Bonds5

About (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one

(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 71724298) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one
PubChem CID71724298
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C19H20O2/c1-14(2)17-13-15(10-12-19(17)21-3)9-11-18(20)16-7-5-4-6-8-16/h4-14H,1-3H3/b11-9+
InChIKeyFKNSYHGRSGCGLC-PKNBQFBNSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.71
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

(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 71724449
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
[2-methoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6124891
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 2887573
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 5110556
3-[3,5-dimethoxy-4-(1-methoxyethoxymethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 67778495
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(E)-1-(3-bromophenyl)-3-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19550910

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one (CID 71724298) is (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccccc2)cc1C(C)C.
What is the InChIKey of (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is FKNSYHGRSGCGLC-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(2)17-13-15(10-12-19(17)21-3)9-11-18(20)16-7-5-4-6-8-16/h4-14H,1-3H3/b11-9+.
What are the key properties of (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 71724298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).