2-(3-methoxy-4-methylphenyl)butan-1-ol

C12H18O2 — CID 139504441

IUPAC2-(3-methoxy-4-methylphenyl)butan-1-ol
SMILESCCC(CO)c1ccc(C)c(OC)c1
InChIInChI=1S/C12H18O2/c1-4-10(8-13)11-6-5-9(2)12(7-11)14-3/h5-7,10,13H,4,8H2,1-3H3
InChIKeyLEGYEUYOGTXCIW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-methoxy-4-methylphenyl)butan-1-ol

2-(3-methoxy-4-methylphenyl)butan-1-ol (PubChem CID 139504441) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)butan-1-ol
PubChem CID139504441
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3-methoxy-4-methylphenyl)butan-1-ol
SMILESCCC(CO)c1ccc(C)c(OC)c1
InChIInChI=1S/C12H18O2/c1-4-10(8-13)11-6-5-9(2)12(7-11)14-3/h5-7,10,13H,4,8H2,1-3H3
InChIKeyLEGYEUYOGTXCIW-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)butan-1-ol (CID 139504441) is 2-(3-methoxy-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)butan-1-ol is CCC(CO)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)butan-1-ol?
The InChIKey is LEGYEUYOGTXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-10(8-13)11-6-5-9(2)12(7-11)14-3/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)butan-1-ol?
2-(3-methoxy-4-methylphenyl)butan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 139504441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).