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

C15H24O2 — CID 103433099

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
SMILESCOc1c(C(O)CCC(C)C)ccc(C)c1C
InChIInChI=1S/C15H24O2/c1-10(2)6-9-14(16)13-8-7-11(3)12(4)15(13)17-5/h7-8,10,14,16H,6,9H2,1-5H3
InChIKeyKFKGMFLCTYODGT-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.78
Rot. Bonds5

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

1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol (PubChem CID 103433099) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
PubChem CID103433099
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
SMILESCOc1c(C(O)CCC(C)C)ccc(C)c1C
InChIInChI=1S/C15H24O2/c1-10(2)6-9-14(16)13-8-7-11(3)12(4)15(13)17-5/h7-8,10,14,16H,6,9H2,1-5H3
InChIKeyKFKGMFLCTYODGT-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 103435667
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103434677
2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103433160
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylpropan-1-ol
CID 103433183
1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
CID 103448788

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol (CID 103433099) is 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol is COc1c(C(O)CCC(C)C)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol?
The InChIKey is KFKGMFLCTYODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)6-9-14(16)13-8-7-11(3)12(4)15(13)17-5/h7-8,10,14,16H,6,9H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol?
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 103433099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).