4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol

C20H32O — CID 65147785

IUPAC4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32O/c1-15(2)17-8-6-16(7-9-17)14-20(21)12-10-18(11-13-20)19(3,4)5/h6-9,15,18,21H,10-14H2,1-5H3
InChIKeyLMGWAOQUZXRCLR-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.32
Rot. Bonds3

About 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol (PubChem CID 65147785) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
PubChem CID65147785
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32O/c1-15(2)17-8-6-16(7-9-17)14-20(21)12-10-18(11-13-20)19(3,4)5/h6-9,15,18,21H,10-14H2,1-5H3
InChIKeyLMGWAOQUZXRCLR-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153807
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79740383
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 65094517

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol (CID 65147785) is 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol is CC(C)c1ccc(CC2(O)CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is LMGWAOQUZXRCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)17-8-6-16(7-9-17)14-20(21)12-10-18(11-13-20)19(3,4)5/h6-9,15,18,21H,10-14H2,1-5H3.
What are the key properties of 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).