4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol

C13H20O4 — CID 79422604

IUPAC4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O4/c1-15-9-11(14)6-4-10-5-7-12(16-2)13(8-10)17-3/h5,7-8,11,14H,4,6,9H2,1-3H3
InChIKeyCLQATDBBZWQJNP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.64
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol

4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol (PubChem CID 79422604) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
PubChem CID79422604
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O4/c1-15-9-11(14)6-4-10-5-7-12(16-2)13(8-10)17-3/h5,7-8,11,14H,4,6,9H2,1-3H3
InChIKeyCLQATDBBZWQJNP-UHFFFAOYSA-N
XLogP1.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83928894
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CID 10883331
1,2-dimethoxy-4-(4-methoxybutyl)benzene
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1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
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4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
4-(3-bromohexyl)-1,2-dimethoxybenzene
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3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol (CID 79422604) is 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol is COCC(O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol?
The InChIKey is CLQATDBBZWQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-15-9-11(14)6-4-10-5-7-12(16-2)13(8-10)17-3/h5,7-8,11,14H,4,6,9H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol?
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol is sourced from PubChem (CID 79422604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).