1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene

C18H28O — CID 144526488

IUPAC1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
SMILESCC1CCCC[C@@H]1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28O/c1-14-7-5-6-8-15(14)13-19-17-11-9-16(10-12-17)18(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3/t14?,15-/m1/s1
InChIKeyDSHRBHUWASPCJE-YSSOQSIOSA-N
MW260.42 g/mol
LogP5.19
Rot. Bonds3

About 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene

1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene (PubChem CID 144526488) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
PubChem CID144526488
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
SMILESCC1CCCC[C@@H]1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28O/c1-14-7-5-6-8-15(14)13-19-17-11-9-16(10-12-17)18(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3/t14?,15-/m1/s1
InChIKeyDSHRBHUWASPCJE-YSSOQSIOSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
1-iodo-4-[[(1S,2R)-2-methylcyclobutyl]methoxy]benzene
CID 124748377
2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547457
3-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 57018133
2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79564198
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]propan-2-ol
CID 90427949
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene (CID 144526488) is 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene is CC1CCCC[C@@H]1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene?
The InChIKey is DSHRBHUWASPCJE-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H28O/c1-14-7-5-6-8-15(14)13-19-17-11-9-16(10-12-17)18(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3/t14?,15-/m1/s1.
What are the key properties of 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene?
1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene is sourced from PubChem (CID 144526488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).