(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one

C14H12O4 — CID 127045490

IUPAC(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(O)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12O4/c1-17-13-6-2-5-11(15)14(13)12(16)8-7-10-4-3-9-18-10/h2-9,15H,1H3/b8-7+
InChIKeyJWCXNZXCOXEVSO-BQYQJAHWSA-N
MW244.25 g/mol
LogP2.89
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one (PubChem CID 127045490) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
PubChem CID127045490
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(O)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12O4/c1-17-13-6-2-5-11(15)14(13)12(16)8-7-10-4-3-9-18-10/h2-9,15H,1H3/b8-7+
InChIKeyJWCXNZXCOXEVSO-BQYQJAHWSA-N
XLogP2.89
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one;[2-[3-(furan-2-yl)prop-2-enoyl]-3,5-dimethoxyphenyl] propanoate
CID 70551644
(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 133083417
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
CID 6073975
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-1-[3-[[ethyl(2-methoxyethyl)amino]methyl]-2-hydroxy-6-methoxy-4-methylphenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 138507975
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 2839593
3-(furan-2-yl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
CID 2837637
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one (CID 127045490) is (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one is COc1cccc(O)c1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one?
The InChIKey is JWCXNZXCOXEVSO-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12O4/c1-17-13-6-2-5-11(15)14(13)12(16)8-7-10-4-3-9-18-10/h2-9,15H,1H3/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one has a molecular weight of 244.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 127045490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).