9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate

C24H21NO4 — CID 169469119

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(O)cccc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c26-22-12-5-13-23(27)20(22)11-6-14-25-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21,26-27H,14-15H2,(H,25,28)
InChIKeyDJSCJISPWRPWPB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.65
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169469119) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169469119
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(O)cccc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c26-22-12-5-13-23(27)20(22)11-6-14-25-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21,26-27H,14-15H2,(H,25,28)
InChIKeyDJSCJISPWRPWPB-UHFFFAOYSA-N
XLogP4.65
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
CID 169469095
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470620
9H-fluoren-9-ylmethyl N-[4-(2-hydroxy-6-methylphenyl)but-3-enyl]carbamate
CID 170491849
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469283
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3,5-difluorobenzoic acid
CID 169470107
9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-hydroxyphenyl)but-3-enyl]carbamate
CID 170491832
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate (CID 169469119) is 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1c(O)cccc1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is DJSCJISPWRPWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-22-12-5-13-23(27)20(22)11-6-14-25-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21,26-27H,14-15H2,(H,25,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 387.44 g/mol, XLogP of 4.65, 5 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-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).