2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol

C12H18O3 — CID 117300512

IUPAC2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)cc(C)c1OC
InChIInChI=1S/C12H18O3/c1-8-6-9(12(2,3)13)7-10(14-4)11(8)15-5/h6-7,13H,1-5H3
InChIKeyKHIOPKKHOCHZDT-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.24
Rot. Bonds3

About 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol

2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol (PubChem CID 117300512) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
PubChem CID117300512
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)cc(C)c1OC
InChIInChI=1S/C12H18O3/c1-8-6-9(12(2,3)13)7-10(14-4)11(8)15-5/h6-7,13H,1-5H3
InChIKeyKHIOPKKHOCHZDT-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
2-(3,4-dimethoxy-5-nitrophenyl)propan-2-ol
CID 116987734
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2-(4-methoxy-1-methylindol-6-yl)propan-2-ol
CID 117312750
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol (CID 117300512) is 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol is COc1cc(C(C)(C)O)cc(C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The InChIKey is KHIOPKKHOCHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-6-9(12(2,3)13)7-10(14-4)11(8)15-5/h6-7,13H,1-5H3.
What are the key properties of 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol?
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 117300512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).