1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol

C18H28O2 — CID 106874139

IUPAC1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O2/c1-17(2,3)15-9-7-14(8-10-15)12-18(19)11-5-6-16(13-18)20-4/h7-10,16,19H,5-6,11-13H2,1-4H3
InChIKeyQOQGGHOGBUMHIM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.85
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol

1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol (PubChem CID 106874139) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
PubChem CID106874139
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O2/c1-17(2,3)15-9-7-14(8-10-15)12-18(19)11-5-6-16(13-18)20-4/h7-10,16,19H,5-6,11-13H2,1-4H3
InChIKeyQOQGGHOGBUMHIM-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154331
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
CID 106823825
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
3-[(4-tert-butylphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171963888
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol (CID 106874139) is 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol is COC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol?
The InChIKey is QOQGGHOGBUMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-17(2,3)15-9-7-14(8-10-15)12-18(19)11-5-6-16(13-18)20-4/h7-10,16,19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol?
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).