9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate

C27H27NO3 — CID 170492162

IUPAC9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate
SMILESCc1cc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1O
InChIInChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)29)9-7-8-14-28-27(30)31-17-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25/h3-7,9-13,15-16,25,29H,8,14,17H2,1-2H3,(H,28,30)
InChIKeyFARNNZMMJZLGAH-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.95
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate (PubChem CID 170492162) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate
PubChem CID170492162
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate
SMILESCc1cc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1O
InChIInChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)29)9-7-8-14-28-27(30)31-17-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25/h3-7,9-13,15-16,25,29H,8,14,17H2,1-2H3,(H,28,30)
InChIKeyFARNNZMMJZLGAH-UHFFFAOYSA-N
XLogP5.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-methylpyrimidin-5-yl)but-3-enyl]carbamate
CID 170491671
9H-fluoren-9-ylmethyl N-[4-(4-amino-3,5-dichlorophenyl)but-3-enyl]carbamate
CID 170492308
9H-fluoren-9-ylmethyl N-[4-(2-hydroxy-6-methylphenyl)but-3-enyl]carbamate
CID 170491849
9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
CID 170491648
9H-fluoren-9-ylmethyl N-[4-(4-bromophenyl)but-3-enyl]carbamate
CID 170493276
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-2-hydroxybenzoate
CID 170492824
9H-fluoren-9-ylmethyl N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)but-3-enyl]carbamate
CID 170491745
9H-fluoren-9-ylmethyl N-[4-(3-carbamothioylphenyl)but-3-enyl]carbamate
CID 170492239
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-2-pyridinyl)but-3-enyl]carbamate
CID 170491961
9H-fluoren-9-ylmethyl N-[4-(3-cyano-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170492335
9H-fluoren-9-ylmethyl N-[4-(5-amino-6-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170492225
9H-fluoren-9-ylmethyl N-[4-(4-chloro-3-methoxyphenyl)but-3-enyl]carbamate
CID 170492122

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate (CID 170492162) is 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate is Cc1cc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate?
The InChIKey is FARNNZMMJZLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-18-15-20(16-19(2)26(18)29)9-7-8-14-28-27(30)31-17-25-23-12-5-3-10-21(23)22-11-4-6-13-24(22)25/h3-7,9-13,15-16,25,29H,8,14,17H2,1-2H3,(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate has a molecular weight of 413.52 g/mol, XLogP of 5.95, 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-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).