9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate

C26H24ClNO6 — CID 171886891

IUPAC9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
SMILESO=Cc1cc(Cl)cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C26H24ClNO6/c27-16-11-15(13-29)24(31)21(12-16)25(32)23(30)9-10-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11-13,22-23,25,30-32H,9-10,14H2,(H,28,33)
InChIKeyLHGBKQHJCFRMGV-UHFFFAOYSA-N
MW481.93 g/mol
LogP4.18
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886891) has the molecular formula C26H24ClNO6 and a molecular weight of 481.93 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886891
Molecular FormulaC26H24ClNO6
Molecular Weight481.93 g/mol
Exact Mass481.13
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
SMILESO=Cc1cc(Cl)cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C26H24ClNO6/c27-16-11-15(13-29)24(31)21(12-16)25(32)23(30)9-10-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11-13,22-23,25,30-32H,9-10,14H2,(H,28,33)
InChIKeyLHGBKQHJCFRMGV-UHFFFAOYSA-N
XLogP4.18
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.93
LogP ≤ 54.18
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

9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886536
9H-fluoren-9-ylmethyl N-[4-(2-formyl-5-hydroxy-4-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887233
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886334
9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834057
9H-fluoren-9-ylmethyl N-[4-(3-chloro-2,4-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886453
9H-fluoren-9-ylmethyl N-[4-(6-formyl-1,3-benzodioxol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171887379
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834280
9H-fluoren-9-ylmethyl N-[4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886431
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate (CID 171886891) is 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate is O=Cc1cc(Cl)cc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is LHGBKQHJCFRMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO6/c27-16-11-15(13-29)24(31)21(12-16)25(32)23(30)9-10-28-26(33)34-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11-13,22-23,25,30-32H,9-10,14H2,(H,28,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 481.93 g/mol, XLogP of 4.18, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).