2-carbazol-9-yl-4-fluoro-6-pentylphenol

C23H22FNO — CID 123478334

IUPAC2-carbazol-9-yl-4-fluoro-6-pentylphenol
SMILESCCCCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C23H22FNO/c1-2-3-4-9-16-14-17(24)15-22(23(16)26)25-20-12-7-5-10-18(20)19-11-6-8-13-21(19)25/h5-8,10-15,26H,2-4,9H2,1H3
InChIKeyZZTCNTFVHRAOGR-UHFFFAOYSA-N
MW347.43 g/mol
LogP6.36
Rot. Bonds5

About 2-carbazol-9-yl-4-fluoro-6-pentylphenol

2-carbazol-9-yl-4-fluoro-6-pentylphenol (PubChem CID 123478334) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-fluoro-6-pentylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-4-fluoro-6-pentylphenol
PubChem CID123478334
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name2-carbazol-9-yl-4-fluoro-6-pentylphenol
SMILESCCCCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C23H22FNO/c1-2-3-4-9-16-14-17(24)15-22(23(16)26)25-20-12-7-5-10-18(20)19-11-6-8-13-21(19)25/h5-8,10-15,26H,2-4,9H2,1H3
InChIKeyZZTCNTFVHRAOGR-UHFFFAOYSA-N
XLogP6.36
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(9H-carbazol-9-ylimino)methyl]phenol
CID 135479674
2-(2,5-Diphenylpyrrol-1-yl)phenol
CID 265594
2-(1-Methylindol-2-yl)phenol
CID 901192
Phenol, (9H-carbazol-9-ylmethyl)-
CID 2843330
1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
CID 135903014
1-hydroxy-N-methylcarbazole
CID 145689
4-(1-Benzyl-3-methylindol-2-yl)phenol
CID 13735110
2-(4-Hydroxyphenyl)-3-methyl-1-phenylindol-6-ol
CID 13735114
1-(2,3-Dimethylphenyl)-3-hydroxyindole-2-carbonitrile
CID 172435562
1-[2-[(3-Benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
CID 177380002
3-(2,7-di-tert-butyl-9H-carbazol9-yl)-5'-fluoro-3'-methyl-5-(2,4,4trimethylpentan-2-yl)-[1,1'-biphenyl]2,2'-diol
CID 123572932
3-(2,7-di-tert-butyl-9H-carbazol-9-yl)5'-fluoro-5-(2,4,4-trimethylpentan-2-yl)[1,1'-biphenyl]-2,2'-diol
CID 138987021

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-fluoro-6-pentylphenol?
The IUPAC name of 2-carbazol-9-yl-4-fluoro-6-pentylphenol (CID 123478334) is 2-carbazol-9-yl-4-fluoro-6-pentylphenol.
What is the SMILES notation for 2-carbazol-9-yl-4-fluoro-6-pentylphenol?
The canonical SMILES for 2-carbazol-9-yl-4-fluoro-6-pentylphenol is CCCCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O.
What is the InChIKey of 2-carbazol-9-yl-4-fluoro-6-pentylphenol?
The InChIKey is ZZTCNTFVHRAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-2-3-4-9-16-14-17(24)15-22(23(16)26)25-20-12-7-5-10-18(20)19-11-6-8-13-21(19)25/h5-8,10-15,26H,2-4,9H2,1H3.
What are the key properties of 2-carbazol-9-yl-4-fluoro-6-pentylphenol?
2-carbazol-9-yl-4-fluoro-6-pentylphenol has a molecular weight of 347.43 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-fluoro-6-pentylphenol is sourced from PubChem (CID 123478334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).