4-ethyl-1-(2-methylphenyl)hexan-2-ol

C15H24O — CID 82919839

IUPAC4-ethyl-1-(2-methylphenyl)hexan-2-ol
SMILESCCC(CC)CC(O)Cc1ccccc1C
InChIInChI=1S/C15H24O/c1-4-13(5-2)10-15(16)11-14-9-7-6-8-12(14)3/h6-9,13,15-16H,4-5,10-11H2,1-3H3
InChIKeyNWESWOHZWFIRDO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.72
Rot. Bonds6

About 4-ethyl-1-(2-methylphenyl)hexan-2-ol

4-ethyl-1-(2-methylphenyl)hexan-2-ol (PubChem CID 82919839) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylphenyl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(2-methylphenyl)hexan-2-ol
PubChem CID82919839
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-ethyl-1-(2-methylphenyl)hexan-2-ol
SMILESCCC(CC)CC(O)Cc1ccccc1C
InChIInChI=1S/C15H24O/c1-4-13(5-2)10-15(16)11-14-9-7-6-8-12(14)3/h6-9,13,15-16H,4-5,10-11H2,1-3H3
InChIKeyNWESWOHZWFIRDO-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
CID 115345853
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1,2-bis(2-methylphenyl)ethanol
CID 60798292
1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylphenyl)hexan-2-ol?
The IUPAC name of 4-ethyl-1-(2-methylphenyl)hexan-2-ol (CID 82919839) is 4-ethyl-1-(2-methylphenyl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-1-(2-methylphenyl)hexan-2-ol?
The canonical SMILES for 4-ethyl-1-(2-methylphenyl)hexan-2-ol is CCC(CC)CC(O)Cc1ccccc1C.
What is the InChIKey of 4-ethyl-1-(2-methylphenyl)hexan-2-ol?
The InChIKey is NWESWOHZWFIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-13(5-2)10-15(16)11-14-9-7-6-8-12(14)3/h6-9,13,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-ethyl-1-(2-methylphenyl)hexan-2-ol?
4-ethyl-1-(2-methylphenyl)hexan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylphenyl)hexan-2-ol is sourced from PubChem (CID 82919839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).