6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol

C16H26O2 — CID 98016089

IUPAC6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
SMILESCOc1cc(C)c(CCCCC(C)(C)O)cc1C
InChIInChI=1S/C16H26O2/c1-12-11-15(18-5)13(2)10-14(12)8-6-7-9-16(3,4)17/h10-11,17H,6-9H2,1-5H3
InChIKeyHKOBJRWYAVKRKR-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.80
Rot. Bonds6

About 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol

6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol (PubChem CID 98016089) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
PubChem CID98016089
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
SMILESCOc1cc(C)c(CCCCC(C)(C)O)cc1C
InChIInChI=1S/C16H26O2/c1-12-11-15(18-5)13(2)10-14(12)8-6-7-9-16(3,4)17/h10-11,17H,6-9H2,1-5H3
InChIKeyHKOBJRWYAVKRKR-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
CID 82470365
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
1,4-dimethyl-2,5-bis(5,5,6,6,6-pentafluorohexyl)benzene
CID 135170421
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol?
The IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol (CID 98016089) is 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol.
What is the SMILES notation for 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol?
The canonical SMILES for 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol is COc1cc(C)c(CCCCC(C)(C)O)cc1C.
What is the InChIKey of 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol?
The InChIKey is HKOBJRWYAVKRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-11-15(18-5)13(2)10-14(12)8-6-7-9-16(3,4)17/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol?
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol is sourced from PubChem (CID 98016089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).