1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one

C21H24O5 — CID 51136382

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
SMILESC=CCc1cc(OC)c(O)c(C(C)C(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H24O5/c1-6-7-14-10-16(21(23)19(11-14)26-5)13(2)20(22)15-8-9-17(24-3)18(12-15)25-4/h6,8-13,23H,1,7H2,2-5H3
InChIKeyVOKBRPPPSPIUIB-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.13
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one

1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one (PubChem CID 51136382) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
PubChem CID51136382
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
SMILESC=CCc1cc(OC)c(O)c(C(C)C(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H24O5/c1-6-7-14-10-16(21(23)19(11-14)26-5)13(2)20(22)15-8-9-17(24-3)18(12-15)25-4/h6,8-13,23H,1,7H2,2-5H3
InChIKeyVOKBRPPPSPIUIB-UHFFFAOYSA-N
XLogP4.13
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
CID 142663411
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
(2S)-1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 10871981
1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 11035669
3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
CID 10860483
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one (CID 51136382) is 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one is C=CCc1cc(OC)c(O)c(C(C)C(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one?
The InChIKey is VOKBRPPPSPIUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-6-7-14-10-16(21(23)19(11-14)26-5)13(2)20(22)15-8-9-17(24-3)18(12-15)25-4/h6,8-13,23H,1,7H2,2-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one?
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one has a molecular weight of 356.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one is sourced from PubChem (CID 51136382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).