1-(3,4-dimethylphenyl)-4-methylpentan-1-ol

C14H22O — CID 61100498

IUPAC1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
SMILESCc1ccc(C(O)CCC(C)C)cc1C
InChIInChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9-10,14-15H,5,8H2,1-4H3
InChIKeyNJXFVTGEWPBCRM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol

1-(3,4-dimethylphenyl)-4-methylpentan-1-ol (PubChem CID 61100498) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
PubChem CID61100498
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
SMILESCc1ccc(C(O)CCC(C)C)cc1C
InChIInChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9-10,14-15H,5,8H2,1-4H3
InChIKeyNJXFVTGEWPBCRM-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-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135826
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
(1S)-1-(3,4-dimethylphenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293235
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol (CID 61100498) is 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol is Cc1ccc(C(O)CCC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol?
The InChIKey is NJXFVTGEWPBCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)5-8-14(15)13-7-6-11(3)12(4)9-13/h6-7,9-10,14-15H,5,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methylpentan-1-ol?
1-(3,4-dimethylphenyl)-4-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-(3,4-dimethylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61100498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).