1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol

C16H26O2 — CID 114201838

IUPAC1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(C)cc1C(O)CC(C)CC(C)C
InChIInChI=1S/C16H26O2/c1-11(2)8-13(4)10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15,17H,8,10H2,1-5H3
InChIKeyOEABCRPQOALPRF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.11
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol

1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol (PubChem CID 114201838) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
PubChem CID114201838
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(C)cc1C(O)CC(C)CC(C)C
InChIInChI=1S/C16H26O2/c1-11(2)8-13(4)10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15,17H,8,10H2,1-5H3
InChIKeyOEABCRPQOALPRF-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
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CID 82366721
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol (CID 114201838) is 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol is COc1ccc(C)cc1C(O)CC(C)CC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol?
The InChIKey is OEABCRPQOALPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-11(2)8-13(4)10-15(17)14-9-12(3)6-7-16(14)18-5/h6-7,9,11,13,15,17H,8,10H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol?
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114201838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).