2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol

C25H34O4 — CID 23520884

IUPAC2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)C2CCCCC2)c1O
InChIInChI=1S/C25H34O4/c1-16-12-18(8-10-26)14-21(24(16)28)23(20-6-4-3-5-7-20)22-15-19(9-11-27)13-17(2)25(22)29/h12-15,20,23,26-29H,3-11H2,1-2H3
InChIKeyFFPLCNMRYINPIT-UHFFFAOYSA-N
MW398.54 g/mol
LogP4.50
Rot. Bonds7

About 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol

2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol (PubChem CID 23520884) has the molecular formula C25H34O4 and a molecular weight of 398.54 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol
PubChem CID23520884
Molecular FormulaC25H34O4
Molecular Weight398.54 g/mol
Exact Mass398.25
IUPAC Name2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)C2CCCCC2)c1O
InChIInChI=1S/C25H34O4/c1-16-12-18(8-10-26)14-21(24(16)28)23(20-6-4-3-5-7-20)22-15-19(9-11-27)13-17(2)25(22)29/h12-15,20,23,26-29H,3-11H2,1-2H3
InChIKeyFFPLCNMRYINPIT-UHFFFAOYSA-N
XLogP4.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol with MolForge

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Related Compounds

2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 90753781
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
benzylbenzene;4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]ethyl]-6-methylphenol
CID 91231740
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
CID 23520906
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
ethyl 4-[bis(2-hydroxy-3,5-dimethylphenyl)methyl]cyclohexane-1-carboxylate
CID 58803711
2-[4-(1-cyclohexylethylamino)phenyl]ethanol
CID 61239115
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol
CID 21040728
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
CID 7319529

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol?
The IUPAC name of 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol (CID 23520884) is 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol.
What is the SMILES notation for 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol?
The canonical SMILES for 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol is Cc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)C2CCCCC2)c1O.
What is the InChIKey of 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol?
The InChIKey is FFPLCNMRYINPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O4/c1-16-12-18(8-10-26)14-21(24(16)28)23(20-6-4-3-5-7-20)22-15-19(9-11-27)13-17(2)25(22)29/h12-15,20,23,26-29H,3-11H2,1-2H3.
What are the key properties of 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol?
2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol has a molecular weight of 398.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol is sourced from PubChem (CID 23520884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).