2-bromo-9-(4-butoxyphenyl)fluoren-9-ol

C23H21BrO2 — CID 154574244

IUPAC2-bromo-9-(4-butoxyphenyl)fluoren-9-ol
SMILESCCCCOc1ccc(C2(O)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H21BrO2/c1-2-3-14-26-18-11-8-16(9-12-18)23(25)21-7-5-4-6-19(21)20-13-10-17(24)15-22(20)23/h4-13,15,25H,2-3,14H2,1H3
InChIKeyDJPKDXFWVXMORB-UHFFFAOYSA-N
MW409.32 g/mol
LogP5.89
Rot. Bonds5

About 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol

2-bromo-9-(4-butoxyphenyl)fluoren-9-ol (PubChem CID 154574244) has the molecular formula C23H21BrO2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9-(4-butoxyphenyl)fluoren-9-ol
PubChem CID154574244
Molecular FormulaC23H21BrO2
Molecular Weight409.32 g/mol
Exact Mass408.07
IUPAC Name2-bromo-9-(4-butoxyphenyl)fluoren-9-ol
SMILESCCCCOc1ccc(C2(O)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H21BrO2/c1-2-3-14-26-18-11-8-16(9-12-18)23(25)21-7-5-4-6-19(21)20-13-10-17(24)15-22(20)23/h4-13,15,25H,2-3,14H2,1H3
InChIKeyDJPKDXFWVXMORB-UHFFFAOYSA-N
XLogP5.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol 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

7-(Benzyloxy)-6-bromonaphthalen-2-ol
CID 74892820
9-(4-Methoxyphenyl)-9h-fluoren-9-ol
CID 276217
(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
CID 154713773
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
CID 129825439
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400
3-[4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-3-(4-fluorophenyl)propanoic acid
CID 57835824
(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 138674126
1-[4-(6-Bromohexoxy)-2-fluorophenyl]-1-(4-bromophenyl)ethanol
CID 138734211
1-(4-Bromophenyl)-1-[4-(3-bromopropoxy)-2-fluorophenyl]ethanol
CID 141697355
(5-Bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol
CID 146242039
2,7-Dibromo-9-[[2-fluoro-4-(2-octyldodecoxy)phenyl]methylidene]fluorene
CID 156697534
1-(4-Bromophenyl)-1-(2-fluoro-4-octoxyphenyl)ethanol
CID 161234858

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol?
The IUPAC name of 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol (CID 154574244) is 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol.
What is the SMILES notation for 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol?
The canonical SMILES for 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol is CCCCOc1ccc(C2(O)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol?
The InChIKey is DJPKDXFWVXMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrO2/c1-2-3-14-26-18-11-8-16(9-12-18)23(25)21-7-5-4-6-19(21)20-13-10-17(24)15-22(20)23/h4-13,15,25H,2-3,14H2,1H3.
What are the key properties of 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol?
2-bromo-9-(4-butoxyphenyl)fluoren-9-ol has a molecular weight of 409.32 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-butoxyphenyl)fluoren-9-ol is sourced from PubChem (CID 154574244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).