4-chloro-5-(4-methoxyphenyl)furan-2,3-dione

C11H7ClO4 — CID 13308165

IUPAC4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
SMILESCOc1ccc(C2=C(Cl)C(=O)C(=O)O2)cc1
InChIInChI=1S/C11H7ClO4/c1-15-7-4-2-6(3-5-7)10-8(12)9(13)11(14)16-10/h2-5H,1H3
InChIKeyLVZBFLZFGMWVKF-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.73
Rot. Bonds2

About 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione

4-chloro-5-(4-methoxyphenyl)furan-2,3-dione (PubChem CID 13308165) has the molecular formula C11H7ClO4 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione.

Molecular Properties

Compound Name4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
PubChem CID13308165
Molecular FormulaC11H7ClO4
Molecular Weight238.63 g/mol
Exact Mass238.00
IUPAC Name4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
SMILESCOc1ccc(C2=C(Cl)C(=O)C(=O)O2)cc1
InChIInChI=1S/C11H7ClO4/c1-15-7-4-2-6(3-5-7)10-8(12)9(13)11(14)16-10/h2-5H,1H3
InChIKeyLVZBFLZFGMWVKF-UHFFFAOYSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
2,3,5-trichloro-6-(4-methoxyphenoxy)cyclohexa-2,5-diene-1,4-dione
CID 10404609
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
2-chloro-5-hydroxy-3-(4-methoxyphenyl)naphthalene-1,4-dione
CID 10639031
methyl (2E)-2-[5-(4-methoxyphenyl)-4-methyl-3-oxofuran-2-ylidene]acetate
CID 6366581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione?
The IUPAC name of 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione (CID 13308165) is 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione.
What is the SMILES notation for 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione?
The canonical SMILES for 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione is COc1ccc(C2=C(Cl)C(=O)C(=O)O2)cc1.
What is the InChIKey of 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione?
The InChIKey is LVZBFLZFGMWVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO4/c1-15-7-4-2-6(3-5-7)10-8(12)9(13)11(14)16-10/h2-5H,1H3.
What are the key properties of 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione?
4-chloro-5-(4-methoxyphenyl)furan-2,3-dione has a molecular weight of 238.63 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxyphenyl)furan-2,3-dione is sourced from PubChem (CID 13308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).