3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol

C18H18O4 — CID 122206277

IUPAC3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)c(-c2cc(O)c(O)cc2CC=C)c1
InChIInChI=1S/C18H18O4/c1-3-5-11-7-14(18(22)17(21)8-11)13-10-16(20)15(19)9-12(13)6-4-2/h3-4,7-10,19-22H,1-2,5-6H2
InChIKeySJFYFSCGKBUWFP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.63
Rot. Bonds5

About 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol

3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol (PubChem CID 122206277) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
PubChem CID122206277
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)c(-c2cc(O)c(O)cc2CC=C)c1
InChIInChI=1S/C18H18O4/c1-3-5-11-7-14(18(22)17(21)8-11)13-10-16(20)15(19)9-12(13)6-4-2/h3-4,7-10,19-22H,1-2,5-6H2
InChIKeySJFYFSCGKBUWFP-UHFFFAOYSA-N
XLogP3.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-tris(prop-2-enyl)phenol
CID 20562879
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
CID 157436892
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
3-[(4-methylpiperazin-1-yl)methyl]-5-prop-2-enylbenzene-1,2-diol
CID 118731821
2-[[bis(2-methylpropyl)amino]methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 171348933
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The IUPAC name of 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol (CID 122206277) is 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol.
What is the SMILES notation for 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The canonical SMILES for 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol is C=CCc1cc(O)c(O)c(-c2cc(O)c(O)cc2CC=C)c1.
What is the InChIKey of 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The InChIKey is SJFYFSCGKBUWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-5-11-7-14(18(22)17(21)8-11)13-10-16(20)15(19)9-12(13)6-4-2/h3-4,7-10,19-22H,1-2,5-6H2.
What are the key properties of 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol has a molecular weight of 298.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol is sourced from PubChem (CID 122206277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).