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

C12H18O2 — CID 117284779

IUPAC2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)CO)c(C)c1C
InChIInChI=1S/C12H18O2/c1-8(7-13)11-5-6-12(14-4)10(3)9(11)2/h5-6,8,13H,7H2,1-4H3
InChIKeyHXSSUKQQNAFNIQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.41
Rot. Bonds3

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

2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol (PubChem CID 117284779) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
PubChem CID117284779
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)CO)c(C)c1C
InChIInChI=1S/C12H18O2/c1-8(7-13)11-5-6-12(14-4)10(3)9(11)2/h5-6,8,13H,7H2,1-4H3
InChIKeyHXSSUKQQNAFNIQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
CID 83939698
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol (CID 117284779) is 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol is COc1ccc(C(C)CO)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol?
The InChIKey is HXSSUKQQNAFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(7-13)11-5-6-12(14-4)10(3)9(11)2/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol?
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.41, 3 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)propan-1-ol is sourced from PubChem (CID 117284779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).