(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one

C17H16O4 — CID 92529821

IUPAC(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2ccccc2)c(O)c1OC
InChIInChI=1S/C17H16O4/c1-20-15-11-9-13(16(19)17(15)21-2)14(18)10-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b10-8-
InChIKeyDQPDCCTVAXUNSG-NTMALXAHSA-N
MW284.31 g/mol
LogP3.31
Rot. Bonds5

About (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one

(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 92529821) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID92529821
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2ccccc2)c(O)c1OC
InChIInChI=1S/C17H16O4/c1-20-15-11-9-13(16(19)17(15)21-2)14(18)10-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b10-8-
InChIKeyDQPDCCTVAXUNSG-NTMALXAHSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529712
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 71440077
1-(2-hydroxy-3,4-dimethoxyphenyl)but-2-en-1-one
CID 70517887
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 7152435
1-(5-bromo-2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 154371674
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 44613798
(E)-3-[4-(diethoxymethyl)phenyl]-1-(4-hydroperoxy-2-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 164861243
(E)-1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 132536610
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 127051469
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(E)-3-(3,5-difluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 10215648

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one (CID 92529821) is (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one is COc1ccc(C(=O)/C=C\c2ccccc2)c(O)c1OC.
What is the InChIKey of (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is DQPDCCTVAXUNSG-NTMALXAHSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-15-11-9-13(16(19)17(15)21-2)14(18)10-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b10-8-.
What are the key properties of (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 284.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 92529821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).