9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate

C26H27NO6 — CID 170834464

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
SMILESCOc1ccc(CO)cc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H27NO6/c1-32-24-11-10-16(14-28)12-21(24)25(30)23(29)13-27-26(31)33-15-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22-23,25,28-30H,13-15H2,1H3,(H,27,31)
InChIKeyYTQSWWNVJVAJMU-UHFFFAOYSA-N
MW449.50 g/mol
LogP3.12
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate (PubChem CID 170834464) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
PubChem CID170834464
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
SMILESCOc1ccc(CO)cc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H27NO6/c1-32-24-11-10-16(14-28)12-21(24)25(30)23(29)13-27-26(31)33-15-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22-23,25,28-30H,13-15H2,1H3,(H,27,31)
InChIKeyYTQSWWNVJVAJMU-UHFFFAOYSA-N
XLogP3.12
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834066
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
CID 170834777
9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834855
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate
CID 170835026
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butyl]carbamate
CID 171886502
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(3-tert-butyl-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835429
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729
9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate
CID 170835379

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate (CID 170834464) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate is COc1ccc(CO)cc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate?
The InChIKey is YTQSWWNVJVAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-32-24-11-10-16(14-28)12-21(24)25(30)23(29)13-27-26(31)33-15-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22-23,25,28-30H,13-15H2,1H3,(H,27,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate has a molecular weight of 449.50 g/mol, XLogP of 3.12, 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-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate is sourced from PubChem (CID 170834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).