1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol

C15H24O2 — CID 65145568

IUPAC1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
SMILESCOc1ccc(CC(C)(O)CCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-12(2)9-10-15(3,16)11-13-5-7-14(17-4)8-6-13/h5-8,12,16H,9-11H2,1-4H3
InChIKeyXZCBODXWUZXSMY-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol

1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol (PubChem CID 65145568) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
PubChem CID65145568
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
SMILESCOc1ccc(CC(C)(O)CCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-12(2)9-10-15(3,16)11-13-5-7-14(17-4)8-6-13/h5-8,12,16H,9-11H2,1-4H3
InChIKeyXZCBODXWUZXSMY-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63011565
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1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
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1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
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CID 60798775
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
CID 60992410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol (CID 65145568) is 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol is COc1ccc(CC(C)(O)CCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol?
The InChIKey is XZCBODXWUZXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)9-10-15(3,16)11-13-5-7-14(17-4)8-6-13/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol?
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol is sourced from PubChem (CID 65145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).