3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol

C18H28O — CID 65154218

IUPAC3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H28O/c1-13(2)17-7-5-16(6-8-17)12-18(19)10-9-14(3)15(4)11-18/h5-8,13-15,19H,9-12H2,1-4H3
InChIKeyOMYNQKYCCYVMND-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.54
Rot. Bonds3

About 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol

3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol (PubChem CID 65154218) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
PubChem CID65154218
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)c1ccc(CC2(O)CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H28O/c1-13(2)17-7-5-16(6-8-17)12-18(19)10-9-14(3)15(4)11-18/h5-8,13-15,19H,9-12H2,1-4H3
InChIKeyOMYNQKYCCYVMND-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
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
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65316674
1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 115401282
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 64745866
(1S,3R,4R)-3,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 125451855
2-methyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79952167
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol (CID 65154218) is 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol is CC(C)c1ccc(CC2(O)CCC(C)C(C)C2)cc1.
What is the InChIKey of 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is OMYNQKYCCYVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)17-7-5-16(6-8-17)12-18(19)10-9-14(3)15(4)11-18/h5-8,13-15,19H,9-12H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol?
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).