1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one

C13H10Cl2O2 — CID 83172334

IUPAC1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1
InChIInChI=1S/C13H10Cl2O2/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7H,6,8H2
InChIKeyMQZJSPYWLDPEFU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.94
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one

1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one (PubChem CID 83172334) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
PubChem CID83172334
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1
InChIInChI=1S/C13H10Cl2O2/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7H,6,8H2
InChIKeyMQZJSPYWLDPEFU-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride
CID 160533977
1-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one (CID 83172334) is 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one?
The InChIKey is MQZJSPYWLDPEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-12-4-3-9(7-13(12)15)6-10(16)8-11-2-1-5-17-11/h1-5,7H,6,8H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one?
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one has a molecular weight of 269.13 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one is sourced from PubChem (CID 83172334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).