1-(3,5-dimethylphenyl)-2-methylpentan-3-ol

C14H22O — CID 63562396

IUPAC1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H22O/c1-5-14(15)12(4)9-13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,5,9H2,1-4H3
InChIKeyHMEVBDBSHIKREJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.25
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol

1-(3,5-dimethylphenyl)-2-methylpentan-3-ol (PubChem CID 63562396) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
PubChem CID63562396
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H22O/c1-5-14(15)12(4)9-13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,5,9H2,1-4H3
InChIKeyHMEVBDBSHIKREJ-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
1-(2-chlorobutyl)-3,5-dimethylbenzene
CID 130480288
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol (CID 63562396) is 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol is CCC(O)C(C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol?
The InChIKey is HMEVBDBSHIKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14(15)12(4)9-13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,5,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol?
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 63562396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).