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

C14H22O2 — CID 116964236

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(CO)C(C)C)c(C)c1C
InChIInChI=1S/C14H22O2/c1-9(2)13(8-15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9,13,15H,8H2,1-5H3
InChIKeyLAYNBMWHKFQXAA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.04
Rot. Bonds4

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

2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 116964236) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID116964236
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(C(CO)C(C)C)c(C)c1C
InChIInChI=1S/C14H22O2/c1-9(2)13(8-15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9,13,15H,8H2,1-5H3
InChIKeyLAYNBMWHKFQXAA-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
CID 83939698
2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
CID 115137309
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol (CID 116964236) is 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol is COc1ccc(C(CO)C(C)C)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is LAYNBMWHKFQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)13(8-15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9,13,15H,8H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol?
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 116964236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).