3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

C18H14O4 — CID 71424935

IUPAC3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILESCOc1cc2occc2cc1C(=O)C=C(O)c1ccccc1
InChIInChI=1S/C18H14O4/c1-21-18-11-17-13(7-8-22-17)9-14(18)16(20)10-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyVNTBXKROOKVICX-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.22
Rot. Bonds4

About 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one (PubChem CID 71424935) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
PubChem CID71424935
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILESCOc1cc2occc2cc1C(=O)C=C(O)c1ccccc1
InChIInChI=1S/C18H14O4/c1-21-18-11-17-13(7-8-22-17)9-14(18)16(20)10-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyVNTBXKROOKVICX-UHFFFAOYSA-N
XLogP4.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoic acid
CID 56964356
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
3-(3,4-dimethoxyphenyl)-3-hydroxy-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
CID 75641505
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
6-hydroxy-1-benzofuran-5-carboxylic acid
CID 83681607
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 42607652
7-benzoyl-3-methoxychromen-2-one
CID 174796943
2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
CID 157262863
2-(3,4-dimethoxybenzoyl)indene-1,3-dione;1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylpropane-1,3-dione;(6-methoxy-1-benzofuran-5-yl)-phenylmethanone
CID 158470940
CID 101146176
CID 101146176
5-(2,2-dihydroxypropanoyl)-1-benzofuran-6-carbaldehyde
CID 143205288

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one (CID 71424935) is 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one is COc1cc2occc2cc1C(=O)C=C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The InChIKey is VNTBXKROOKVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-21-18-11-17-13(7-8-22-17)9-14(18)16(20)10-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3.
What are the key properties of 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one has a molecular weight of 294.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 71424935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).