(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate

C12H10ClNO5 — CID 91241463

IUPAC(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate
SMILESO=C(OCc1ccc(Cl)cc1)On1c(O)ccc1O
InChIInChI=1S/C12H10ClNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyQUFINAOXCCTEBH-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.32
Rot. Bonds3

About (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate

(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate (PubChem CID 91241463) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate
PubChem CID91241463
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate
SMILESO=C(OCc1ccc(Cl)cc1)On1c(O)ccc1O
InChIInChI=1S/C12H10ClNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyQUFINAOXCCTEBH-UHFFFAOYSA-N
XLogP2.32
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
CID 91471476
(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
(4-chlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 8543754
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
(2,5-dihydroxypyrrol-1-yl) 4,4,4-trifluorobutyl carbonate
CID 91214823
(2,5-dihydroxypyrrol-1-yl) 2-prop-2-enoxyethyl carbonate
CID 90964031
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate?
The IUPAC name of (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate (CID 91241463) is (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate.
What is the SMILES notation for (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate?
The canonical SMILES for (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate is O=C(OCc1ccc(Cl)cc1)On1c(O)ccc1O.
What is the InChIKey of (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate?
The InChIKey is QUFINAOXCCTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2.
What are the key properties of (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate?
(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate has a molecular weight of 283.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate is sourced from PubChem (CID 91241463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).