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

C12H18O2 — CID 72978410

IUPAC3-(3-methoxy-4-methylphenyl)butan-1-ol
SMILESCOc1cc(C(C)CCO)ccc1C
InChIInChI=1S/C12H18O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyZQHLKMDAHPDGMY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.49
Rot. Bonds4

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

3-(3-methoxy-4-methylphenyl)butan-1-ol (PubChem CID 72978410) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-methylphenyl)butan-1-ol
PubChem CID72978410
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(3-methoxy-4-methylphenyl)butan-1-ol
SMILESCOc1cc(C(C)CCO)ccc1C
InChIInChI=1S/C12H18O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyZQHLKMDAHPDGMY-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-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
CID 71320824
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(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
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylphenyl)butan-1-ol?
The IUPAC name of 3-(3-methoxy-4-methylphenyl)butan-1-ol (CID 72978410) is 3-(3-methoxy-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-methylphenyl)butan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-methylphenyl)butan-1-ol is COc1cc(C(C)CCO)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylphenyl)butan-1-ol?
The InChIKey is ZQHLKMDAHPDGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 3-(3-methoxy-4-methylphenyl)butan-1-ol?
3-(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 3-(3-methoxy-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 72978410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).