1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone

C17H16O2 — CID 12007325

IUPAC1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone
SMILESCO/C(=C\c1ccccc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16O2/c1-13(18)15-8-10-16(11-9-15)17(19-2)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b17-12-
InChIKeyCGUSDDSLAJKOBB-ATVHPVEESA-N
MW252.31 g/mol
LogP4.03
Rot. Bonds4

About 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone

1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone (PubChem CID 12007325) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone
PubChem CID12007325
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone
SMILESCO/C(=C\c1ccccc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16O2/c1-13(18)15-8-10-16(11-9-15)17(19-2)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b17-12-
InChIKeyCGUSDDSLAJKOBB-ATVHPVEESA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl terephthalate
CID 8441
Methyl 4-methylbenzoate
CID 7455
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Dibutyl terephthalate
CID 16066
Dimethyl 4,4'-biphenyldicarboxylate
CID 13099
3-Phenylpropyl benzoate
CID 346273
Methyl o-benzoylbenzoate
CID 11816
(-)-Menthyl benzoate
CID 93868
Methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoate
CID 826096
Mansonone F
CID 94304
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
CID 57525
Dioctyl terephthalate
CID 62546

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone (CID 12007325) is 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone is CO/C(=C\c1ccccc1)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone?
The InChIKey is CGUSDDSLAJKOBB-ATVHPVEESA-N. The full InChI is InChI=1S/C17H16O2/c1-13(18)15-8-10-16(11-9-15)17(19-2)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b17-12-.
What are the key properties of 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone?
1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-1-methoxy-2-phenylethenyl]phenyl]ethanone is sourced from PubChem (CID 12007325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).