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

C17H28O — CID 63410684

IUPAC4-ethyl-1-(4-methylphenyl)octan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc(C)cc1
InChIInChI=1S/C17H28O/c1-4-6-7-15(5-2)12-17(18)13-16-10-8-14(3)9-11-16/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyAYRDMKLIOSLPQJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.50
Rot. Bonds8

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

4-ethyl-1-(4-methylphenyl)octan-2-ol (PubChem CID 63410684) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-ethyl-1-(4-methylphenyl)octan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(4-methylphenyl)octan-2-ol
PubChem CID63410684
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-ethyl-1-(4-methylphenyl)octan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc(C)cc1
InChIInChI=1S/C17H28O/c1-4-6-7-15(5-2)12-17(18)13-16-10-8-14(3)9-11-16/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyAYRDMKLIOSLPQJ-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
CID 55195254
1-[2-(chloromethyl)-4-ethyloctyl]-4-methylbenzene
CID 66034803
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
1-(4-methylphenyl)octan-2-ol
CID 62607878
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
4-ethyl-1-(4-methylphenyl)octane-2-thione
CID 144875666

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methylphenyl)octan-2-ol?
The IUPAC name of 4-ethyl-1-(4-methylphenyl)octan-2-ol (CID 63410684) is 4-ethyl-1-(4-methylphenyl)octan-2-ol.
What is the SMILES notation for 4-ethyl-1-(4-methylphenyl)octan-2-ol?
The canonical SMILES for 4-ethyl-1-(4-methylphenyl)octan-2-ol is CCCCC(CC)CC(O)Cc1ccc(C)cc1.
What is the InChIKey of 4-ethyl-1-(4-methylphenyl)octan-2-ol?
The InChIKey is AYRDMKLIOSLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-4-6-7-15(5-2)12-17(18)13-16-10-8-14(3)9-11-16/h8-11,15,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of 4-ethyl-1-(4-methylphenyl)octan-2-ol?
4-ethyl-1-(4-methylphenyl)octan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methylphenyl)octan-2-ol is sourced from PubChem (CID 63410684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).