1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol

C13H20O — CID 117283284

IUPAC1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
SMILESCCc1cc(C)c(C)c(CC(C)O)c1
InChIInChI=1S/C13H20O/c1-5-12-6-9(2)11(4)13(8-12)7-10(3)14/h6,8,10,14H,5,7H2,1-4H3
InChIKeyNUWMNJQQCTWPME-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol

1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol (PubChem CID 117283284) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
PubChem CID117283284
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
SMILESCCc1cc(C)c(C)c(CC(C)O)c1
InChIInChI=1S/C13H20O/c1-5-12-6-9(2)11(4)13(8-12)7-10(3)14/h6,8,10,14H,5,7H2,1-4H3
InChIKeyNUWMNJQQCTWPME-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
CID 117316222
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117278206
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
CID 117400955
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 117341037
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol (CID 117283284) is 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol is CCc1cc(C)c(C)c(CC(C)O)c1.
What is the InChIKey of 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol?
The InChIKey is NUWMNJQQCTWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-12-6-9(2)11(4)13(8-12)7-10(3)14/h6,8,10,14H,5,7H2,1-4H3.
What are the key properties of 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol?
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 117283284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).