5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol

C22H28O3 — CID 146236031

IUPAC5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol
SMILESCc1c(Cc2cccc(O)c2C2CCCCC2)cc(O)c(CO)c1C
InChIInChI=1S/C22H28O3/c1-14-15(2)19(13-23)21(25)12-18(14)11-17-9-6-10-20(24)22(17)16-7-4-3-5-8-16/h6,9-10,12,16,23-25H,3-5,7-8,11,13H2,1-2H3
InChIKeyKXFHFPLRRFCVCW-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.85
Rot. Bonds4

About 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol

5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol (PubChem CID 146236031) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol.

Molecular Properties

Compound Name5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol
PubChem CID146236031
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol
SMILESCc1c(Cc2cccc(O)c2C2CCCCC2)cc(O)c(CO)c1C
InChIInChI=1S/C22H28O3/c1-14-15(2)19(13-23)21(25)12-18(14)11-17-9-6-10-20(24)22(17)16-7-4-3-5-8-16/h6,9-10,12,16,23-25H,3-5,7-8,11,13H2,1-2H3
InChIKeyKXFHFPLRRFCVCW-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
CID 22643834
2-cyclopentyl-3-fluorophenol
CID 117104118
2-cyclohexyl-3-(propylamino)phenol
CID 90947994
2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol
CID 141095493
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone
CID 72701076
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
CID 141143598
2,6-dicyclohexyl-3-methylphenol
CID 3022567
4-cyclodecyl-2-methylphenol
CID 153407623
2-cycloheptyl-5-methylphenol
CID 45096882
2-cyclohexyl-1-ethyl-3-iodobenzene
CID 175261690
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol?
The IUPAC name of 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol (CID 146236031) is 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol.
What is the SMILES notation for 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol?
The canonical SMILES for 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol is Cc1c(Cc2cccc(O)c2C2CCCCC2)cc(O)c(CO)c1C.
What is the InChIKey of 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol?
The InChIKey is KXFHFPLRRFCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-14-15(2)19(13-23)21(25)12-18(14)11-17-9-6-10-20(24)22(17)16-7-4-3-5-8-16/h6,9-10,12,16,23-25H,3-5,7-8,11,13H2,1-2H3.
What are the key properties of 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol?
5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol has a molecular weight of 340.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol is sourced from PubChem (CID 146236031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).