2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol

C15H24O3 — CID 116931006

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CC(CO)C(C)C)cc1OC
InChIInChI=1S/C15H24O3/c1-10(2)13(9-16)7-12-8-15(18-5)14(17-4)6-11(12)3/h6,8,10,13,16H,7,9H2,1-5H3
InChIKeyJKMLPZOXYTVZHD-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116931006) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116931006
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CC(CO)C(C)C)cc1OC
InChIInChI=1S/C15H24O3/c1-10(2)13(9-16)7-12-8-15(18-5)14(17-4)6-11(12)3/h6,8,10,13,16H,7,9H2,1-5H3
InChIKeyJKMLPZOXYTVZHD-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methylamino]propanoic acid
CID 83194866
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol (CID 116931006) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol is COc1cc(C)c(CC(CO)C(C)C)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is JKMLPZOXYTVZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)13(9-16)7-12-8-15(18-5)14(17-4)6-11(12)3/h6,8,10,13,16H,7,9H2,1-5H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol?
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116931006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).