1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

C13H8Cl2O3 — CID 2781430

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2O3/c14-8-6-10(13(17)11(15)7-8)12(16)4-3-9-2-1-5-18-9/h1-7,17H
InChIKeyMIKNUQMCCASJTD-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.19
Rot. Bonds3

About 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 2781430) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID2781430
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2O3/c14-8-6-10(13(17)11(15)7-8)12(16)4-3-9-2-1-5-18-9/h1-7,17H
InChIKeyMIKNUQMCCASJTD-UHFFFAOYSA-N
XLogP4.19
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11623260
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040010
3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040009
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 2781430) is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is O=C(C=Cc1ccco1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is MIKNUQMCCASJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-8-6-10(13(17)11(15)7-8)12(16)4-3-9-2-1-5-18-9/h1-7,17H.
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 283.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 2781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).