[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid

C15H15NO8 — CID 152514048

IUPAC[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
SMILESCOc1cccc(-c2oc(NC(=O)O)c(OC(C)=O)c2O)c1OC
InChIInChI=1S/C15H15NO8/c1-7(17)23-13-10(18)12(24-14(13)16-15(19)20)8-5-4-6-9(21-2)11(8)22-3/h4-6,16,18H,1-3H3,(H,19,20)
InChIKeyYGCTWPICHPWGHM-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.68
Rot. Bonds5

About [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid

[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid (PubChem CID 152514048) has the molecular formula C15H15NO8 and a molecular weight of 337.28 g/mol. Its IUPAC name is [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
PubChem CID152514048
Molecular FormulaC15H15NO8
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC Name[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
SMILESCOc1cccc(-c2oc(NC(=O)O)c(OC(C)=O)c2O)c1OC
InChIInChI=1S/C15H15NO8/c1-7(17)23-13-10(18)12(24-14(13)16-15(19)20)8-5-4-6-9(21-2)11(8)22-3/h4-6,16,18H,1-3H3,(H,19,20)
InChIKeyYGCTWPICHPWGHM-UHFFFAOYSA-N
XLogP2.68
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082113
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
[5-(2,6-dimethoxyphenyl)-4-hydroxy-2-(propylsulfonylamino)furan-3-yl] acetate
CID 90080827
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
CID 90080934
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
(2,3-dimethoxy-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 135037831
[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
[2-amino-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-3-yl] phenylmethanesulfonate
CID 123687698
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391
2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
CID 13288116

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid?
The IUPAC name of [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid (CID 152514048) is [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid.
What is the SMILES notation for [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid?
The canonical SMILES for [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid is COc1cccc(-c2oc(NC(=O)O)c(OC(C)=O)c2O)c1OC.
What is the InChIKey of [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid?
The InChIKey is YGCTWPICHPWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO8/c1-7(17)23-13-10(18)12(24-14(13)16-15(19)20)8-5-4-6-9(21-2)11(8)22-3/h4-6,16,18H,1-3H3,(H,19,20).
What are the key properties of [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid?
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid has a molecular weight of 337.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid is sourced from PubChem (CID 152514048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).