1-(2-ethyl-5-methylphenyl)propan-2-ol

C12H18O — CID 117277868

IUPAC1-(2-ethyl-5-methylphenyl)propan-2-ol
SMILESCCc1ccc(C)cc1CC(C)O
InChIInChI=1S/C12H18O/c1-4-11-6-5-9(2)7-12(11)8-10(3)13/h5-7,10,13H,4,8H2,1-3H3
InChIKeyJXFLLFQQYHXUQP-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-ethyl-5-methylphenyl)propan-2-ol

1-(2-ethyl-5-methylphenyl)propan-2-ol (PubChem CID 117277868) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylphenyl)propan-2-ol
PubChem CID117277868
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2-ethyl-5-methylphenyl)propan-2-ol
SMILESCCc1ccc(C)cc1CC(C)O
InChIInChI=1S/C12H18O/c1-4-11-6-5-9(2)7-12(11)8-10(3)13/h5-7,10,13H,4,8H2,1-3H3
InChIKeyJXFLLFQQYHXUQP-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
CID 117289314
1,2-diethyl-4-methylbenzene;methane
CID 174446118
1-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339203
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
ethane;2-ethyl-5-methylphenol
CID 142001660
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1-(2-ethyl-4-methylphenyl)butan-1-ol
CID 167052415
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074
2-ethyl-5-methylbenzenethiol
CID 91873863

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-ethyl-5-methylphenyl)propan-2-ol (CID 117277868) is 1-(2-ethyl-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-ethyl-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-ethyl-5-methylphenyl)propan-2-ol is CCc1ccc(C)cc1CC(C)O.
What is the InChIKey of 1-(2-ethyl-5-methylphenyl)propan-2-ol?
The InChIKey is JXFLLFQQYHXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-11-6-5-9(2)7-12(11)8-10(3)13/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylphenyl)propan-2-ol?
1-(2-ethyl-5-methylphenyl)propan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 117277868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).