6-(4-ethylphenyl)-2-methylhexan-2-ol

C15H24O — CID 98014254

IUPAC6-(4-ethylphenyl)-2-methylhexan-2-ol
SMILESCCc1ccc(CCCCC(C)(C)O)cc1
InChIInChI=1S/C15H24O/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2,3)16/h8-11,16H,4-7,12H2,1-3H3
InChIKeyHQAWQCWWWLIXJS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.73
Rot. Bonds6

About 6-(4-ethylphenyl)-2-methylhexan-2-ol

6-(4-ethylphenyl)-2-methylhexan-2-ol (PubChem CID 98014254) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-methylhexan-2-ol
PubChem CID98014254
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-(4-ethylphenyl)-2-methylhexan-2-ol
SMILESCCc1ccc(CCCCC(C)(C)O)cc1
InChIInChI=1S/C15H24O/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2,3)16/h8-11,16H,4-7,12H2,1-3H3
InChIKeyHQAWQCWWWLIXJS-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-phenylhexan-2-ol
CID 12716611
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312
2-methyl-6-(4-methylsulfonylphenyl)hexan-2-ol
CID 98018337
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
12-[4-(10,10-dihydroxydodecyl)phenyl]dodecane-3,3-diol
CID 150548684
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
1-ethyl-4-octacosylbenzene
CID 175218304
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-methylhexan-2-ol?
The IUPAC name of 6-(4-ethylphenyl)-2-methylhexan-2-ol (CID 98014254) is 6-(4-ethylphenyl)-2-methylhexan-2-ol.
What is the SMILES notation for 6-(4-ethylphenyl)-2-methylhexan-2-ol?
The canonical SMILES for 6-(4-ethylphenyl)-2-methylhexan-2-ol is CCc1ccc(CCCCC(C)(C)O)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-methylhexan-2-ol?
The InChIKey is HQAWQCWWWLIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-13-8-10-14(11-9-13)7-5-6-12-15(2,3)16/h8-11,16H,4-7,12H2,1-3H3.
What are the key properties of 6-(4-ethylphenyl)-2-methylhexan-2-ol?
6-(4-ethylphenyl)-2-methylhexan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-methylhexan-2-ol is sourced from PubChem (CID 98014254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).