1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene

C17H26O — CID 20692114

IUPAC1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene
SMILESCOc1ccc(C2(C)CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H26O/c1-13-10-16(2,3)12-17(4,11-13)14-6-8-15(18-5)9-7-14/h6-9,13H,10-12H2,1-5H3
InChIKeyGRSPWTWGYVQNII-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.80
Rot. Bonds2

About 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene

1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene (PubChem CID 20692114) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene
PubChem CID20692114
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene
SMILESCOc1ccc(C2(C)CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C17H26O/c1-13-10-16(2,3)12-17(4,11-13)14-6-8-15(18-5)9-7-14/h6-9,13H,10-12H2,1-5H3
InChIKeyGRSPWTWGYVQNII-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
1-[1-[4-[4-(benzenesulfonyl)phenoxy]phenyl]-3,3,5-trimethylcyclohexyl]-4-methoxybenzene
CID 134524651
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
benzene;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] acetate;bis(propan-2-one)
CID 159006703
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
2-O-[4-[1-[4-[4-(4-acetylphenyl)benzoyl]oxyphenyl]-3,3,5-trimethylcyclohexyl]phenyl] 6-O-[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] naphthalene-2,6-dicarboxylate
CID 134554344
1-methoxy-4-[3,3,5-trimethyl-1-[4-[(1S)-2-methyl-1-phenyl-1-[4-[3,3,5-trimethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexyl]phenoxy]propan-2-yl]oxyphenyl]cyclohexyl]benzene
CID 142994261
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 161095354
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794519

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene?
The IUPAC name of 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene (CID 20692114) is 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene?
The canonical SMILES for 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene is COc1ccc(C2(C)CC(C)CC(C)(C)C2)cc1.
What is the InChIKey of 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene?
The InChIKey is GRSPWTWGYVQNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13-10-16(2,3)12-17(4,11-13)14-6-8-15(18-5)9-7-14/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene?
1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene is sourced from PubChem (CID 20692114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).