4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol

C9H10O3 — CID 18539716

IUPAC4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
SMILESOC/C=C/c1ccc(O)cc1O
InChIInChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)6-9(7)12/h1-4,6,10-12H,5H2/b2-1+
InChIKeyDNAFPMHFCCWACS-OWOJBTEDSA-N
MW166.18 g/mol
LogP1.10
Rot. Bonds2

About 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol

4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol (PubChem CID 18539716) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
PubChem CID18539716
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
SMILESOC/C=C/c1ccc(O)cc1O
InChIInChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)6-9(7)12/h1-4,6,10-12H,5H2/b2-1+
InChIKeyDNAFPMHFCCWACS-OWOJBTEDSA-N
XLogP1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-sulfanylprop-1-enyl)benzene-1,3-diol
CID 169454721
4-(4-aminobut-1-enyl)benzene-1,3-diol
CID 170486543
4-(2,4-dihydroxyphenyl)but-3-enoic acid
CID 170483156
4-dec-1-enylbenzene-1,3-diol
CID 140936059
4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
CID 169453803
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
4-ethenylbenzene-1,3-diol
CID 10374511
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
4-[(E)-2-[3-(hydroxymethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol
CID 176845664
2-[(E)-but-1-enyl]benzene-1,4-diol
CID 19910488
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
4-[2,3-diamino-4-(2,4-dihydroxyphenyl)buta-1,3-dienyl]benzene-1,3-diol
CID 154312775

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol (CID 18539716) is 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol is OC/C=C/c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol?
The InChIKey is DNAFPMHFCCWACS-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)6-9(7)12/h1-4,6,10-12H,5H2/b2-1+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol?
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol has a molecular weight of 166.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol is sourced from PubChem (CID 18539716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).