1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea

C13H15ClN2O4 — CID 73138755

IUPAC1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1COC2C(O)COC12
InChIInChI=1S/C13H15ClN2O4/c14-7-1-3-8(4-2-7)15-13(18)16-9-5-19-12-10(17)6-20-11(9)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)
InChIKeyLDSGUSLWXMYFTC-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.99
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea

1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea (PubChem CID 73138755) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
PubChem CID73138755
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1COC2C(O)COC12
InChIInChI=1S/C13H15ClN2O4/c14-7-1-3-8(4-2-7)15-13(18)16-9-5-19-12-10(17)6-20-11(9)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)
InChIKeyLDSGUSLWXMYFTC-UHFFFAOYSA-N
XLogP0.99
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea
CID 162414640
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
CID 147474562
1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 162807850
1-[(3R,3aR,6R,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 163039885
1-(6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 73132959
[(3R,3aR,6R,6aR)-3-[(4-propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 162811958
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
CID 156583823
[(3R,3aR,6R,6aR)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163167399
[(3S,3aS,6S,6aS)-3-[(4-chlorophenyl)carbamothioylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 162804182

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea (CID 73138755) is 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1COC2C(O)COC12.
What is the InChIKey of 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea?
The InChIKey is LDSGUSLWXMYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-7-1-3-8(4-2-7)15-13(18)16-9-5-19-12-10(17)6-20-11(9)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18).
What are the key properties of 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea?
1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea has a molecular weight of 298.73 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea is sourced from PubChem (CID 73138755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).