5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol

C20H26O4 — CID 67601682

IUPAC5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol
SMILESCc1ccc(O)c(CCC(O)C(CO)CCc2ccccc2O)c1
InChIInChI=1S/C20H26O4/c1-14-6-10-19(23)16(12-14)9-11-20(24)17(13-21)8-7-15-4-2-3-5-18(15)22/h2-6,10,12,17,20-24H,7-9,11,13H2,1H3
InChIKeyOGUMYMWULFUKNO-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.94
Rot. Bonds8

About 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol

5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol (PubChem CID 67601682) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol
PubChem CID67601682
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol
SMILESCc1ccc(O)c(CCC(O)C(CO)CCc2ccccc2O)c1
InChIInChI=1S/C20H26O4/c1-14-6-10-19(23)16(12-14)9-11-20(24)17(13-21)8-7-15-4-2-3-5-18(15)22/h2-6,10,12,17,20-24H,7-9,11,13H2,1H3
InChIKeyOGUMYMWULFUKNO-UHFFFAOYSA-N
XLogP2.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
5-(2-hydroxy-4-methylphenyl)-2-[2-(4-hydroxy-3-methylphenyl)ethyl]hexane-1,3-diol
CID 67799632
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
1-(2,5-dimethylphenyl)hexane-3,4-diol
CID 83928188
2-(4-amino-5-methylhexyl)-4-methylphenol
CID 83922823
2-ethylphenol;1,3-xylene
CID 174948528
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol?
The IUPAC name of 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol (CID 67601682) is 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol.
What is the SMILES notation for 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol?
The canonical SMILES for 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol is Cc1ccc(O)c(CCC(O)C(CO)CCc2ccccc2O)c1.
What is the InChIKey of 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol?
The InChIKey is OGUMYMWULFUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-14-6-10-19(23)16(12-14)9-11-20(24)17(13-21)8-7-15-4-2-3-5-18(15)22/h2-6,10,12,17,20-24H,7-9,11,13H2,1H3.
What are the key properties of 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol?
5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol has a molecular weight of 330.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylphenyl)-2-[2-(2-hydroxyphenyl)ethyl]pentane-1,3-diol is sourced from PubChem (CID 67601682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).