4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol

C19H30O2 — CID 63406908

IUPAC4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H30O2/c1-14-6-7-17(21-5)15(12-14)13-19(20)10-8-16(9-11-19)18(2,3)4/h6-7,12,16,20H,8-11,13H2,1-5H3
InChIKeyYZSALLWFPNHSML-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.51
Rot. Bonds3

About 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 63406908) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID63406908
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H30O2/c1-14-6-7-17(21-5)15(12-14)13-19(20)10-8-16(9-11-19)18(2,3)4/h6-7,12,16,20H,8-11,13H2,1-5H3
InChIKeyYZSALLWFPNHSML-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736144
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol (CID 63406908) is 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol is COc1ccc(C)cc1CC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is YZSALLWFPNHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-14-6-7-17(21-5)15(12-14)13-19(20)10-8-16(9-11-19)18(2,3)4/h6-7,12,16,20H,8-11,13H2,1-5H3.
What are the key properties of 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63406908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).