3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol

C18H22O4 — CID 19007893

IUPAC3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1CC(O)CO
InChIInChI=1S/C18H22O4/c1-18(2,13-3-5-14(20)6-4-13)17-8-7-15(21)9-12(17)10-16(22)11-19/h3-9,16,19-22H,10-11H2,1-2H3
InChIKeyKOJYTYLIIIKZNY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.32
Rot. Bonds5

About 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol

3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol (PubChem CID 19007893) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
PubChem CID19007893
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1CC(O)CO
InChIInChI=1S/C18H22O4/c1-18(2,13-3-5-14(20)6-4-13)17-8-7-15(21)9-12(17)10-16(22)11-19/h3-9,16,19-22H,10-11H2,1-2H3
InChIKeyKOJYTYLIIIKZNY-UHFFFAOYSA-N
XLogP2.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
CID 159532417
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
CID 142758885
2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175845350
4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol
CID 19356772
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
4-[2-[3-[2-(4-hydroxy-2-pentylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-pentylphenol
CID 19356842

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol?
The IUPAC name of 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol (CID 19007893) is 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol.
What is the SMILES notation for 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol?
The canonical SMILES for 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1CC(O)CO.
What is the InChIKey of 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol?
The InChIKey is KOJYTYLIIIKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-18(2,13-3-5-14(20)6-4-13)17-8-7-15(21)9-12(17)10-16(22)11-19/h3-9,16,19-22H,10-11H2,1-2H3.
What are the key properties of 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol?
3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol has a molecular weight of 302.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol is sourced from PubChem (CID 19007893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).