4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol

C22H28O3 — CID 170054066

IUPAC4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol
SMILESCc1cc(C)cc(C2(c3cc(CO)c(O)c(CO)c3)CCCCC2)c1
InChIInChI=1S/C22H28O3/c1-15-8-16(2)10-19(9-15)22(6-4-3-5-7-22)20-11-17(13-23)21(25)18(12-20)14-24/h8-12,23-25H,3-7,13-14H2,1-2H3
InChIKeyZMUHMUPQIKPBMD-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.24
Rot. Bonds4

About 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol

4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 170054066) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID170054066
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol
SMILESCc1cc(C)cc(C2(c3cc(CO)c(O)c(CO)c3)CCCCC2)c1
InChIInChI=1S/C22H28O3/c1-15-8-16(2)10-19(9-15)22(6-4-3-5-7-22)20-11-17(13-23)21(25)18(12-20)14-24/h8-12,23-25H,3-7,13-14H2,1-2H3
InChIKeyZMUHMUPQIKPBMD-UHFFFAOYSA-N
XLogP4.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
CID 154629594
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
CID 21045052
2-[4-[1-[3,5-diethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]-2,6-diethylphenoxy]ethanol
CID 21257857
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
CID 71358313
4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
CID 22003359
4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
CID 1392676
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
4-methyl-2,6-bis(1-methylcyclohexyl)phenol
CID 22281157
2,6-bis[[5-(aminomethyl)-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-4-methylphenol
CID 151086831
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol (CID 170054066) is 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol is Cc1cc(C)cc(C2(c3cc(CO)c(O)c(CO)c3)CCCCC2)c1.
What is the InChIKey of 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is ZMUHMUPQIKPBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-15-8-16(2)10-19(9-15)22(6-4-3-5-7-22)20-11-17(13-23)21(25)18(12-20)14-24/h8-12,23-25H,3-7,13-14H2,1-2H3.
What are the key properties of 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol?
4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 340.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 170054066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).