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

C15H24O3 — CID 63018220

IUPAC1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol
SMILESCCC(C)(C)C(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24O3/c1-6-15(2,3)14(16)10-11-7-8-12(17-4)13(9-11)18-5/h7-9,14,16H,6,10H2,1-5H3
InChIKeyHXTPDJOMHSCHPF-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.04
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol (PubChem CID 63018220) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol
PubChem CID63018220
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol
SMILESCCC(C)(C)C(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24O3/c1-6-15(2,3)14(16)10-11-7-8-12(17-4)13(9-11)18-5/h7-9,14,16H,6,10H2,1-5H3
InChIKeyHXTPDJOMHSCHPF-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
1-(3,4-dimethoxyphenyl)-4,5,5-trimethylhexan-2-ol
CID 63834551
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
CID 116713778
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol (CID 63018220) is 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol is CCC(C)(C)C(O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol?
The InChIKey is HXTPDJOMHSCHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-15(2,3)14(16)10-11-7-8-12(17-4)13(9-11)18-5/h7-9,14,16H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol?
1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol is sourced from PubChem (CID 63018220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).