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

C25H21NO4 — CID 169469390

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
SMILESO=Cc1cc(O)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO4/c27-15-18-14-19(28)12-11-17(18)6-5-13-26-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14-15,24,28H,13,16H2,(H,26,29)
InChIKeyRBQKGGMVDMCQPV-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.76
Rot. Bonds6

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

9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate (PubChem CID 169469390) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
PubChem CID169469390
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
SMILESO=Cc1cc(O)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO4/c27-15-18-14-19(28)12-11-17(18)6-5-13-26-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14-15,24,28H,13,16H2,(H,26,29)
InChIKeyRBQKGGMVDMCQPV-UHFFFAOYSA-N
XLogP4.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169469433
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470620
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate (CID 169469390) is 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate is O=Cc1cc(O)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate?
The InChIKey is RBQKGGMVDMCQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-15-18-14-19(28)12-11-17(18)6-5-13-26-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14-15,24,28H,13,16H2,(H,26,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate has a molecular weight of 399.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).