9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

C25H23NO3 — CID 169469145

IUPAC9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO3/c27-16-19-13-11-18(12-14-19)6-5-15-26-25(28)29-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,24,27H,15-17H2,(H,26,28)
InChIKeyBGMDCFYINKGAFO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.73
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169469145) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169469145
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO3/c27-16-19-13-11-18(12-14-19)6-5-15-26-25(28)29-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,24,27H,15-17H2,(H,26,28)
InChIKeyBGMDCFYINKGAFO-UHFFFAOYSA-N
XLogP4.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
CID 169470346
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate (CID 169469145) is 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is BGMDCFYINKGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-16-19-13-11-18(12-14-19)6-5-15-26-25(28)29-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-14,24,27H,15-17H2,(H,26,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 385.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169469145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).