3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one

C12H9ClO3 — CID 71626990

IUPAC3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(c2ccc(Cl)cc2)=C1OC
InChIInChI=1S/C12H9ClO3/c1-7-11(15-2)10(12(14)16-7)8-3-5-9(13)6-4-8/h3-6H,1H2,2H3
InChIKeyUSOWZMHVWMQORE-UHFFFAOYSA-N
MW236.65 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one

3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one (PubChem CID 71626990) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one
PubChem CID71626990
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(c2ccc(Cl)cc2)=C1OC
InChIInChI=1S/C12H9ClO3/c1-7-11(15-2)10(12(14)16-7)8-3-5-9(13)6-4-8/h3-6H,1H2,2H3
InChIKeyUSOWZMHVWMQORE-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(4-chlorophenyl)furo[3,4-c]furan-3,6-dione
CID 12695053
methyl 2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate
CID 54676219
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
CID 68541267
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
3-(2,1,3-benzoxadiazol-5-yl)-4-(4-chlorophenyl)furan-2,5-dione
CID 57144913
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
CID 13308165
8,9-bis(4-chlorophenyl)-2,2,3,3-tetramethyl-1,4,6-trioxa-5-boranuidaspiro[4.4]non-8-en-7-one
CID 135062147
3-(2,1,3-benzothiadiazol-5-yl)-4-(4-chlorophenyl)furan-2,5-dione
CID 56998674

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one (CID 71626990) is 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one is C=C1OC(=O)C(c2ccc(Cl)cc2)=C1OC.
What is the InChIKey of 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one?
The InChIKey is USOWZMHVWMQORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-7-11(15-2)10(12(14)16-7)8-3-5-9(13)6-4-8/h3-6H,1H2,2H3.
What are the key properties of 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one?
3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one has a molecular weight of 236.65 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one is sourced from PubChem (CID 71626990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).