2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol

C25H23ClFNO3 — CID 126714735

IUPAC2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1OCCOCc1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C25H23ClFNO3/c26-19-7-6-18(12-24(29)22-15-28-23-14-20(27)8-9-21(22)23)25(13-19)31-11-10-30-16-17-4-2-1-3-5-17/h1-9,13-15,24,28-29H,10-12,16H2
InChIKeyOJRTWKKWJNDMSS-UHFFFAOYSA-N
MW439.91 g/mol
LogP5.83
Rot. Bonds9

About 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol (PubChem CID 126714735) has the molecular formula C25H23ClFNO3 and a molecular weight of 439.91 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol
PubChem CID126714735
Molecular FormulaC25H23ClFNO3
Molecular Weight439.91 g/mol
Exact Mass439.14
IUPAC Name2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1OCCOCc1ccccc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C25H23ClFNO3/c26-19-7-6-18(12-24(29)22-15-28-23-14-20(27)8-9-21(22)23)25(13-19)31-11-10-30-16-17-4-2-1-3-5-17/h1-9,13-15,24,28-29H,10-12,16H2
InChIKeyOJRTWKKWJNDMSS-UHFFFAOYSA-N
XLogP5.83
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.91
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol 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

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
CID 126714734
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
CID 126706430
benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
CID 71746186
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
CID 173039005
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110931259
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol (CID 126714735) is 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol is OC(Cc1ccc(Cl)cc1OCCOCc1ccccc1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol?
The InChIKey is OJRTWKKWJNDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFNO3/c26-19-7-6-18(12-24(29)22-15-28-23-14-20(27)8-9-21(22)23)25(13-19)31-11-10-30-16-17-4-2-1-3-5-17/h1-9,13-15,24,28-29H,10-12,16H2.
What are the key properties of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol?
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol has a molecular weight of 439.91 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 126714735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).