4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one

C19H22O4 — CID 15310595

IUPAC4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(=O)CCC(OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O4/c1-21-16-8-4-14(5-9-16)18(20)12-13-19(23-3)15-6-10-17(22-2)11-7-15/h4-11,19H,12-13H2,1-3H3
InChIKeyFVTVPKZSMXCUGR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.05
Rot. Bonds8

About 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one

4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one (PubChem CID 15310595) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
PubChem CID15310595
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(=O)CCC(OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O4/c1-21-16-8-4-14(5-9-16)18(20)12-13-19(23-3)15-6-10-17(22-2)11-7-15/h4-11,19H,12-13H2,1-3H3
InChIKeyFVTVPKZSMXCUGR-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
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3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one?
The IUPAC name of 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one (CID 15310595) is 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one is COc1ccc(C(=O)CCC(OC)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one?
The InChIKey is FVTVPKZSMXCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-21-16-8-4-14(5-9-16)18(20)12-13-19(23-3)15-6-10-17(22-2)11-7-15/h4-11,19H,12-13H2,1-3H3.
What are the key properties of 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one?
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 15310595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).