benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate

C18H19NO6 — CID 171855779

IUPACbenzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C18H19NO6/c20-10-14-8-13(6-7-15(14)21)17(23)16(22)9-19-18(24)25-11-12-4-2-1-3-5-12/h1-8,10,16-17,21-23H,9,11H2,(H,19,24)
InChIKeyUUDHAXVPJGQDCC-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.53
Rot. Bonds7

About benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855779) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855779
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namebenzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C18H19NO6/c20-10-14-8-13(6-7-15(14)21)17(23)16(22)9-19-18(24)25-11-12-4-2-1-3-5-12/h1-8,10,16-17,21-23H,9,11H2,(H,19,24)
InChIKeyUUDHAXVPJGQDCC-UHFFFAOYSA-N
XLogP1.53
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-(4-chloro-3-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855821
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539
benzyl N-[3-(5-formyl-1H-pyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
CID 171855425
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(3-formyl-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855860
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 171855779) is benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is O=Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1O.
What is the InChIKey of benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is UUDHAXVPJGQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c20-10-14-8-13(6-7-15(14)21)17(23)16(22)9-19-18(24)25-11-12-4-2-1-3-5-12/h1-8,10,16-17,21-23H,9,11H2,(H,19,24).
What are the key properties of benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 345.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).