2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol

C18H19Cl2FO2 — CID 23039693

IUPAC2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol
SMILESCCCC(CO)(OCc1ccccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2FO2/c1-2-9-18(12-22,15-8-7-14(19)10-16(15)20)23-11-13-5-3-4-6-17(13)21/h3-8,10,22H,2,9,11-12H2,1H3
InChIKeyZPHLOTXTOAYCBR-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.34
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol

2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol (PubChem CID 23039693) has the molecular formula C18H19Cl2FO2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol
PubChem CID23039693
Molecular FormulaC18H19Cl2FO2
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol
SMILESCCCC(CO)(OCc1ccccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2FO2/c1-2-9-18(12-22,15-8-7-14(19)10-16(15)20)23-11-13-5-3-4-6-17(13)21/h3-8,10,22H,2,9,11-12H2,1H3
InChIKeyZPHLOTXTOAYCBR-UHFFFAOYSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-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

Etoxinol
CID 22342
2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 16730269
2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 44424015
(2S,3R,4R,5R)-2-[4-chloro-3-[(4-fluorophenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 73348016
(4aR,8R,8aR)-2-(4-chlorophenyl)-4-fluoro-4,7-dimethyl-2,3,4a,5,8,8a-hexahydrochromen-8-ol
CID 134146494
[3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693340
(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol
CID 139043204
2-(2,4-Dichlorophenyl)-3-[3-(4-fluorophenyl)prop-2-ynoxymethyl]oxirane
CID 139260233
2,6-Bis(4-chlorophenyl)oxan-4-ol
CID 15501036
4,4'-Dichlorodiphenylethoxy-methylcarbinol
CID 129736465
[(2R,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693341
[3-(2-Chlorophenyl)-2-(2-fluorophenyl)oxiran-2-yl]methanol
CID 17959683

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol (CID 23039693) is 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol is CCCC(CO)(OCc1ccccc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol?
The InChIKey is ZPHLOTXTOAYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FO2/c1-2-9-18(12-22,15-8-7-14(19)10-16(15)20)23-11-13-5-3-4-6-17(13)21/h3-8,10,22H,2,9,11-12H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol?
2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol has a molecular weight of 357.25 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-[(2-fluorophenyl)methoxy]pentan-1-ol is sourced from PubChem (CID 23039693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).