4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol

C22H28O3 — CID 145407345

IUPAC4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol
SMILESCCc1ccc(C2CC(O)CC(CO)C2)cc1Cc1ccc(O)cc1
InChIInChI=1S/C22H28O3/c1-2-17-5-6-18(20-10-16(14-23)11-22(25)13-20)12-19(17)9-15-3-7-21(24)8-4-15/h3-8,12,16,20,22-25H,2,9-11,13-14H2,1H3
InChIKeyRDNZNPJGSBUINC-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.78
Rot. Bonds5

About 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol

4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol (PubChem CID 145407345) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol
PubChem CID145407345
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol
SMILESCCc1ccc(C2CC(O)CC(CO)C2)cc1Cc1ccc(O)cc1
InChIInChI=1S/C22H28O3/c1-2-17-5-6-18(20-10-16(14-23)11-22(25)13-20)12-19(17)9-15-3-7-21(24)8-4-15/h3-8,12,16,20,22-25H,2,9-11,13-14H2,1H3
InChIKeyRDNZNPJGSBUINC-UHFFFAOYSA-N
XLogP3.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-3-[(4-propylphenyl)methyl]phenyl]-5-(hydroxymethyl)cyclohexan-1-ol
CID 134484877
4-[3-(hydroxymethyl)cyclobutyl]phenol
CID 105437523
[2-chloro-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]-(4-propylphenyl)methanediol
CID 143928541
3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol
CID 143173165
2-[3-[(4-ethyl-3-fluorophenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 143209493
6-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-4-hydroxyoxane-2-carboxylic acid;ethane;propan-1-amine
CID 143959155
(2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane
CID 143726154
2-[(4-ethylphenyl)methyl]-6-hydroxy-4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile
CID 77424379
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
4-cyclopropyl-2-ethylphenol
CID 22039039
(2R,4R,6S)-2-[4-cyclopropyl-3-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
CID 143726330
(1S,2R,3R,4R,6S)-6-[4-chloro-3-[(4-ethylphenyl)methyl]phenyl]-4-deuterio-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 45107747

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol?
The IUPAC name of 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol (CID 145407345) is 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol.
What is the SMILES notation for 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol?
The canonical SMILES for 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol is CCc1ccc(C2CC(O)CC(CO)C2)cc1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol?
The InChIKey is RDNZNPJGSBUINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-2-17-5-6-18(20-10-16(14-23)11-22(25)13-20)12-19(17)9-15-3-7-21(24)8-4-15/h3-8,12,16,20,22-25H,2,9-11,13-14H2,1H3.
What are the key properties of 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol?
4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol has a molecular weight of 340.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol is sourced from PubChem (CID 145407345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).