4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol

C16H16O4 — CID 85093472

IUPAC4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
SMILESCOc1ccc(CC=Cc2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C16H16O4/c1-20-13-7-6-12(15(18)10-13)4-2-3-11-5-8-14(17)16(19)9-11/h2-3,5-10,17-19H,4H2,1H3
InChIKeyJIXOYGPEWODAPR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.07
Rot. Bonds4

About 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol

4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol (PubChem CID 85093472) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
PubChem CID85093472
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
SMILESCOc1ccc(CC=Cc2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C16H16O4/c1-20-13-7-6-12(15(18)10-13)4-2-3-11-5-8-14(17)16(19)9-11/h2-3,5-10,17-19H,4H2,1H3
InChIKeyJIXOYGPEWODAPR-UHFFFAOYSA-N
XLogP3.07
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
5-methoxy-2-prop-2-enylphenol
CID 6424515
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-propylphenol
CID 12836519
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
CID 140835234
(E)-3-(3,4-dihydroxyphenyl)-1-(2-ethoxy-5-methoxyphenyl)prop-2-en-1-one
CID 14977386
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol?
The IUPAC name of 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol (CID 85093472) is 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol is COc1ccc(CC=Cc2ccc(O)c(O)c2)c(O)c1.
What is the InChIKey of 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol?
The InChIKey is JIXOYGPEWODAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-13-7-6-12(15(18)10-13)4-2-3-11-5-8-14(17)16(19)9-11/h2-3,5-10,17-19H,4H2,1H3.
What are the key properties of 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol?
4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol has a molecular weight of 272.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol is sourced from PubChem (CID 85093472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).