1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol

C15H24O2 — CID 103459685

IUPAC1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C15H24O2/c1-5-12(6-2)14(16)15(17)13-8-7-10(3)9-11(13)4/h7-9,12,14-17H,5-6H2,1-4H3
InChIKeyYSHFUQALBZHKDA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol

1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol (PubChem CID 103459685) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
PubChem CID103459685
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C15H24O2/c1-5-12(6-2)14(16)15(17)13-8-7-10(3)9-11(13)4/h7-9,12,14-17H,5-6H2,1-4H3
InChIKeyYSHFUQALBZHKDA-UHFFFAOYSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2,4,5-trimethylphenyl)pentane-1,2-diol
CID 103459784
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
1-(2,3-difluoro-4-methylphenyl)-3-ethylpentane-1,2-diol
CID 107513057
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721
1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
CID 163762352
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol (CID 103459685) is 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol is CCC(CC)C(O)C(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol?
The InChIKey is YSHFUQALBZHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-12(6-2)14(16)15(17)13-8-7-10(3)9-11(13)4/h7-9,12,14-17H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol?
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol has a molecular weight of 236.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol is sourced from PubChem (CID 103459685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).