2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol

C14H22O3 — CID 117349580

IUPAC2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)c(C)c(C)c1OC
InChIInChI=1S/C14H22O3/c1-9-10(2)13(17-6)12(16-5)7-11(9)14(3,4)8-15/h7,15H,8H2,1-6H3
InChIKeyHITPLOLJFYQGCM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.59
Rot. Bonds4

About 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol

2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117349580) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117349580
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)c(C)c(C)c1OC
InChIInChI=1S/C14H22O3/c1-9-10(2)13(17-6)12(16-5)7-11(9)14(3,4)8-15/h7,15H,8H2,1-6H3
InChIKeyHITPLOLJFYQGCM-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
CID 115133331
2-(5-ethoxy-2-methoxy-4-methylphenyl)-2-methylpropan-1-ol
CID 117349596
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxybenzaldehyde
CID 117349264
5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethoxybenzaldehyde
CID 117349266

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol (CID 117349580) is 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol is COc1cc(C(C)(C)CO)c(C)c(C)c1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is HITPLOLJFYQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-10(2)13(17-6)12(16-5)7-11(9)14(3,4)8-15/h7,15H,8H2,1-6H3.
What are the key properties of 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol?
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117349580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).