1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol

C15H24O4 — CID 114852238

IUPAC1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol
SMILESCOCCCC(C)(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24O4/c1-15(16,8-5-9-17-2)11-12-6-7-13(18-3)14(10-12)19-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyFQKWUDLTAGSYGI-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.42
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol

1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol (PubChem CID 114852238) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol
PubChem CID114852238
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol
SMILESCOCCCC(C)(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24O4/c1-15(16,8-5-9-17-2)11-12-6-7-13(18-3)14(10-12)19-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyFQKWUDLTAGSYGI-UHFFFAOYSA-N
XLogP2.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181
3-hydroxy-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-one
CID 121301650
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
CID 16736187
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
4-[[3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]butanoic acid
CID 122022063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol (CID 114852238) is 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol is COCCCC(C)(O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol?
The InChIKey is FQKWUDLTAGSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(16,8-5-9-17-2)11-12-6-7-13(18-3)14(10-12)19-4/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol?
1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol is sourced from PubChem (CID 114852238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).