9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate

C26H27NO4 — CID 170833729

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1ccc(C)c(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H27NO4/c1-16-11-12-17(2)22(13-16)25(29)24(28)14-27-26(30)31-15-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-13,23-25,28-29H,14-15H2,1-2H3,(H,27,30)
InChIKeyPSGSARUCGQLUEP-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.24
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833729) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833729
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1ccc(C)c(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H27NO4/c1-16-11-12-17(2)22(13-16)25(29)24(28)14-27-26(30)31-15-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-13,23-25,28-29H,14-15H2,1-2H3,(H,27,30)
InChIKeyPSGSARUCGQLUEP-UHFFFAOYSA-N
XLogP4.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834230
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[4-(5-bromo-2-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887700
9H-fluoren-9-ylmethyl N-[4-(2-cyano-5-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886696
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833909
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170833811
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate (CID 170833729) is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate is Cc1ccc(C)c(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is PSGSARUCGQLUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-16-11-12-17(2)22(13-16)25(29)24(28)14-27-26(30)31-15-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-13,23-25,28-29H,14-15H2,1-2H3,(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).