1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol

C18H30O — CID 114981430

IUPAC1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1cc(C)ccc1C
InChIInChI=1S/C18H30O/c1-5-7-8-16(6-2)12-18(19)13-17-11-14(3)9-10-15(17)4/h9-11,16,18-19H,5-8,12-13H2,1-4H3
InChIKeyAYMJTGBBOADNTM-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.81
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol

1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol (PubChem CID 114981430) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
PubChem CID114981430
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1cc(C)ccc1C
InChIInChI=1S/C18H30O/c1-5-7-8-16(6-2)12-18(19)13-17-11-14(3)9-10-15(17)4/h9-11,16,18-19H,5-8,12-13H2,1-4H3
InChIKeyAYMJTGBBOADNTM-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
CID 63410443
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
4-ethyl-1-(2-methylphenyl)hexan-2-ol
CID 82919839
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
2-(2-bromodecyl)-1,4-dimethylbenzene
CID 65427966
2-(aminomethyl)-7-(2,5-dimethylphenyl)-4-ethylheptanoic acid
CID 69268670
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol (CID 114981430) is 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol is CCCCC(CC)CC(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol?
The InChIKey is AYMJTGBBOADNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-7-8-16(6-2)12-18(19)13-17-11-14(3)9-10-15(17)4/h9-11,16,18-19H,5-8,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol?
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol has a molecular weight of 262.44 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol is sourced from PubChem (CID 114981430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).