(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one

C16H14O5 — CID 142661626

IUPAC(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OCO)c1cc(O)ccc1O
InChIInChI=1S/C16H14O5/c17-10-21-16-4-2-1-3-11(16)5-7-14(19)13-9-12(18)6-8-15(13)20/h1-9,17-18,20H,10H2/b7-5+
InChIKeyZPQGSYIXIIAKSP-FNORWQNLSA-N
MW286.28 g/mol
LogP2.32
Rot. Bonds5

About (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one

(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one (PubChem CID 142661626) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one
PubChem CID142661626
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OCO)c1cc(O)ccc1O
InChIInChI=1S/C16H14O5/c17-10-21-16-4-2-1-3-11(16)5-7-14(19)13-9-12(18)6-8-15(13)20/h1-9,17-18,20H,10H2/b7-5+
InChIKeyZPQGSYIXIIAKSP-FNORWQNLSA-N
XLogP2.32
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 10714433
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
1,3-bis(4-hydroxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139808020
(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one;(E)-1-(2-hydroxy-5-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 130277777
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
1-(2,5-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 69261993
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 6474698
1-(2,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 3981090
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 6447965
1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 131632720
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 57402432

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one (CID 142661626) is (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1OCO)c1cc(O)ccc1O.
What is the InChIKey of (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one?
The InChIKey is ZPQGSYIXIIAKSP-FNORWQNLSA-N. The full InChI is InChI=1S/C16H14O5/c17-10-21-16-4-2-1-3-11(16)5-7-14(19)13-9-12(18)6-8-15(13)20/h1-9,17-18,20H,10H2/b7-5+.
What are the key properties of (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one?
(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one has a molecular weight of 286.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 142661626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).