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

C14H22O — CID 63901831

IUPAC1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22O/c1-5-6-12(4)14(15)13-8-10(2)7-11(3)9-13/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyKPGMEGMKOVVCLU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-2-methylpentan-1-ol (PubChem CID 63901831) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
PubChem CID63901831
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22O/c1-5-6-12(4)14(15)13-8-10(2)7-11(3)9-13/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyKPGMEGMKOVVCLU-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 107893070
3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 65190666
2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
2-methyl-1-(2-methyl-4-pyridinyl)pentan-1-ol
CID 107894619
2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol
CID 176967790
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
CID 107887092
4-bromo-1-(3,5-dimethylphenyl)butane-1,2-diol
CID 171891556

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol (CID 63901831) is 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol?
The InChIKey is KPGMEGMKOVVCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-6-12(4)14(15)13-8-10(2)7-11(3)9-13/h7-9,12,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methylpentan-1-ol?
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.77, 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-1-ol is sourced from PubChem (CID 63901831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).