1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol

C15H24O2 — CID 103027435

IUPAC1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24O2/c1-11-6-7-13(8-12(11)2)9-14(16)10-15(3,4)17-5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyLRSOZERINDJDHF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.02
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol (PubChem CID 103027435) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
PubChem CID103027435
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24O2/c1-11-6-7-13(8-12(11)2)9-14(16)10-15(3,4)17-5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyLRSOZERINDJDHF-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
1-(3,5-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027420
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
CID 115817129
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142248
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol (CID 103027435) is 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol is COC(C)(C)CC(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol?
The InChIKey is LRSOZERINDJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-6-7-13(8-12(11)2)9-14(16)10-15(3,4)17-5/h6-8,14,16H,9-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol?
1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 103027435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).