[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate

C16H14O4 — CID 174918165

IUPAC[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
SMILESC=CCc1ccc(O)c(-c2cc(OC=O)ccc2O)c1
InChIInChI=1S/C16H14O4/c1-2-3-11-4-6-15(18)13(8-11)14-9-12(20-10-17)5-7-16(14)19/h2,4-10,18-19H,1,3H2
InChIKeyOIZDCVNRUWOSFL-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.03
Rot. Bonds5

About [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate

[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate (PubChem CID 174918165) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate.

Molecular Properties

Compound Name[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
PubChem CID174918165
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
SMILESC=CCc1ccc(O)c(-c2cc(OC=O)ccc2O)c1
InChIInChI=1S/C16H14O4/c1-2-3-11-4-6-15(18)13(8-11)14-9-12(20-10-17)5-7-16(14)19/h2,4-10,18-19H,1,3H2
InChIKeyOIZDCVNRUWOSFL-UHFFFAOYSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
CID 102144038
(3-hydroxy-4-sulfanylphenyl) formate
CID 174696612
4-prop-2-enyl-2-sulfanylphenol
CID 89013961
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate
CID 155673364

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate?
The IUPAC name of [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate (CID 174918165) is [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate.
What is the SMILES notation for [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate?
The canonical SMILES for [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate is C=CCc1ccc(O)c(-c2cc(OC=O)ccc2O)c1.
What is the InChIKey of [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate?
The InChIKey is OIZDCVNRUWOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-2-3-11-4-6-15(18)13(8-11)14-9-12(20-10-17)5-7-16(14)19/h2,4-10,18-19H,1,3H2.
What are the key properties of [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate?
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate has a molecular weight of 270.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate is sourced from PubChem (CID 174918165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).