3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol

C18H20O4 — CID 73055340

IUPAC3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
SMILESC=CCc1ccc(O)c(-c2ccc(O)c(CC(O)CO)c2)c1
InChIInChI=1S/C18H20O4/c1-2-3-12-4-6-18(22)16(8-12)13-5-7-17(21)14(9-13)10-15(20)11-19/h2,4-9,15,19-22H,1,3,10-11H2
InChIKeyVYJFSROTGBEULZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.39
Rot. Bonds6

About 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol

3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol (PubChem CID 73055340) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
PubChem CID73055340
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
SMILESC=CCc1ccc(O)c(-c2ccc(O)c(CC(O)CO)c2)c1
InChIInChI=1S/C18H20O4/c1-2-3-12-4-6-18(22)16(8-12)13-5-7-17(21)14(9-13)10-15(20)11-19/h2,4-9,15,19-22H,1,3,10-11H2
InChIKeyVYJFSROTGBEULZ-UHFFFAOYSA-N
XLogP2.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2,3-triol
CID 74429995
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875
(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol
CID 72734679
4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-hydroxyphenyl]phenol
CID 54592208
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
CID 73334664
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
2-(3-prop-2-enylphenyl)phenol
CID 174695353
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol (CID 73055340) is 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol is C=CCc1ccc(O)c(-c2ccc(O)c(CC(O)CO)c2)c1.
What is the InChIKey of 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol?
The InChIKey is VYJFSROTGBEULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-3-12-4-6-18(22)16(8-12)13-5-7-17(21)14(9-13)10-15(20)11-19/h2,4-9,15,19-22H,1,3,10-11H2.
What are the key properties of 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol?
3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol has a molecular weight of 300.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 73055340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).