(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate

C13H9ClO5 — CID 974648

IUPAC(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate
SMILESCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccco1
InChIInChI=1S/C13H9ClO5/c1-17-11-6-8(7-15)5-9(14)12(11)19-13(16)10-3-2-4-18-10/h2-7H,1H3
InChIKeyIHHKWSGPRRAAHH-UHFFFAOYSA-N
MW280.66 g/mol
LogP2.97
Rot. Bonds4

About (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate

(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate (PubChem CID 974648) has the molecular formula C13H9ClO5 and a molecular weight of 280.66 g/mol. Its IUPAC name is (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate
PubChem CID974648
Molecular FormulaC13H9ClO5
Molecular Weight280.66 g/mol
Exact Mass280.01
IUPAC Name(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate
SMILESCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccco1
InChIInChI=1S/C13H9ClO5/c1-17-11-6-8(7-15)5-9(14)12(11)19-13(16)10-3-2-4-18-10/h2-7H,1H3
InChIKeyIHHKWSGPRRAAHH-UHFFFAOYSA-N
XLogP2.97
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-methoxy-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] furan-2-carboxylate
CID 2934332
[2-chloro-6-methoxy-4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 2181965
[2-chloro-4-[(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxoprop-1-enyl]-6-methoxyphenyl] furan-2-carboxylate
CID 170917344
(2,3,4,6-tetrachlorophenyl) furan-2-carboxylate
CID 91700579
(4-formyl-2,6-dimethoxyphenyl) 4-chlorobenzoate
CID 820015
(4-formyl-2-iodo-6-methoxyphenyl) 2-chlorobenzoate
CID 4766801
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
(2-ethoxy-4-formylphenyl) furan-2-carboxylate
CID 672303
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
[2-chloro-4-[(Z)-(5-imino-3-methylsulfanyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] furan-2-carboxylate
CID 46505272
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate?
The IUPAC name of (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate (CID 974648) is (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate?
The canonical SMILES for (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate is COc1cc(C=O)cc(Cl)c1OC(=O)c1ccco1.
What is the InChIKey of (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate?
The InChIKey is IHHKWSGPRRAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO5/c1-17-11-6-8(7-15)5-9(14)12(11)19-13(16)10-3-2-4-18-10/h2-7H,1H3.
What are the key properties of (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate?
(2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate has a molecular weight of 280.66 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-formyl-6-methoxyphenyl) furan-2-carboxylate is sourced from PubChem (CID 974648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).