propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate

C15H15ClO4 — CID 19578393

IUPACpropan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H15ClO4/c1-10(2)19-15(17)14-8-7-11(20-14)9-18-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3
InChIKeyQFNFQRXTWALGRA-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.08
Rot. Bonds5

About propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate

propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 19578393) has the molecular formula C15H15ClO4 and a molecular weight of 294.73 g/mol. Its IUPAC name is propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
PubChem CID19578393
Molecular FormulaC15H15ClO4
Molecular Weight294.73 g/mol
Exact Mass294.07
IUPAC Namepropan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H15ClO4/c1-10(2)19-15(17)14-8-7-11(20-14)9-18-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3
InChIKeyQFNFQRXTWALGRA-UHFFFAOYSA-N
XLogP4.08
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
propan-2-yl 5-[(2-chloro-4-formyl-6-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913606
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913618
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748747

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate (CID 19578393) is propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate is CC(C)OC(=O)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is QFNFQRXTWALGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4/c1-10(2)19-15(17)14-8-7-11(20-14)9-18-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3.
What are the key properties of propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate?
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 294.73 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 19578393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).