3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid

C18H14O5 — CID 70138823

IUPAC3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)C=Cc2ccccc2O)cc1O
InChIInChI=1S/C18H14O5/c19-15-4-2-1-3-12(15)7-9-16(20)14-6-5-13(17(21)11-14)8-10-18(22)23/h1-11,19,21H,(H,22,23)
InChIKeyYJEVZRHFKBTWCA-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.09
Rot. Bonds5

About 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid

3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid (PubChem CID 70138823) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
PubChem CID70138823
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)C=Cc2ccccc2O)cc1O
InChIInChI=1S/C18H14O5/c19-15-4-2-1-3-12(15)7-9-16(20)14-6-5-13(17(21)11-14)8-10-18(22)23/h1-11,19,21H,(H,22,23)
InChIKeyYJEVZRHFKBTWCA-UHFFFAOYSA-N
XLogP3.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
3-(4-bromo-2-hydroxyphenyl)prop-2-enoic acid
CID 169461099
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(E)-3-(2-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 141495067
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
CID 172832773
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
(E)-3-(2-hydroxy-4-nitrophenyl)-1-phenylprop-2-en-1-one
CID 169226730
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid (CID 70138823) is 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(C(=O)C=Cc2ccccc2O)cc1O.
What is the InChIKey of 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid?
The InChIKey is YJEVZRHFKBTWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c19-15-4-2-1-3-12(15)7-9-16(20)14-6-5-13(17(21)11-14)8-10-18(22)23/h1-11,19,21H,(H,22,23).
What are the key properties of 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid?
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid has a molecular weight of 310.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 70138823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).