1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one

C19H22O5 — CID 10449310

IUPAC1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
SMILESCOc1ccc(C(O)CC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22O5/c1-22-16-7-5-14(6-8-16)17(21)12-15(20)10-13-4-9-18(23-2)19(11-13)24-3/h4-9,11,17,21H,10,12H2,1-3H3
InChIKeyZFNUTJSHPLOZQP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.95
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one

1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one (PubChem CID 10449310) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
PubChem CID10449310
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
SMILESCOc1ccc(C(O)CC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22O5/c1-22-16-7-5-14(6-8-16)17(21)12-15(20)10-13-4-9-18(23-2)19(11-13)24-3/h4-9,11,17,21H,10,12H2,1-3H3
InChIKeyZFNUTJSHPLOZQP-UHFFFAOYSA-N
XLogP2.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
ethyl 4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanoate
CID 139755325
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one (CID 10449310) is 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one is COc1ccc(C(O)CC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one?
The InChIKey is ZFNUTJSHPLOZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-22-16-7-5-14(6-8-16)17(21)12-15(20)10-13-4-9-18(23-2)19(11-13)24-3/h4-9,11,17,21H,10,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one?
1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one has a molecular weight of 330.38 g/mol, XLogP of 2.95, 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)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one is sourced from PubChem (CID 10449310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).