1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

C17H28O — CID 67966968

IUPAC1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCOc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C17H28O/c1-16(2,3)12-15(17(4,5)6)13-8-10-14(18-7)11-9-13/h8-11,15H,12H2,1-7H3
InChIKeyBPBWMBCRVTZUBW-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.26
Rot. Bonds3

About 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (PubChem CID 67966968) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
PubChem CID67966968
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCOc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C17H28O/c1-16(2,3)12-15(17(4,5)6)13-8-10-14(18-7)11-9-13/h8-11,15H,12H2,1-7H3
InChIKeyBPBWMBCRVTZUBW-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123795245
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2-hydroxy-5-(4-methoxyphenyl)-2,6,6-trimethylheptan-3-one
CID 101413027
2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 71103144
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The IUPAC name of 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (CID 67966968) is 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is COc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The InChIKey is BPBWMBCRVTZUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-16(2,3)12-15(17(4,5)6)13-8-10-14(18-7)11-9-13/h8-11,15H,12H2,1-7H3.
What are the key properties of 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene has a molecular weight of 248.41 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is sourced from PubChem (CID 67966968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).