3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol

C22H21ClO2S — CID 59837293

IUPAC3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol
SMILESOCCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H21ClO2S/c23-22-15-21(12-11-18(22)8-5-13-24)26-20-10-4-9-19(14-20)25-16-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-15,24H,5,8,13,16H2
InChIKeyVUZCVTMNWLNIQX-UHFFFAOYSA-N
MW384.93 g/mol
LogP6.00
Rot. Bonds8

About 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol

3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol (PubChem CID 59837293) has the molecular formula C22H21ClO2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol
PubChem CID59837293
Molecular FormulaC22H21ClO2S
Molecular Weight384.93 g/mol
Exact Mass384.10
IUPAC Name3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol
SMILESOCCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H21ClO2S/c23-22-15-21(12-11-18(22)8-5-13-24)26-20-10-4-9-19(14-20)25-16-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-15,24H,5,8,13,16H2
InChIKeyVUZCVTMNWLNIQX-UHFFFAOYSA-N
XLogP6.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.93
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-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

2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]butane-1,4-diol;hydrochloride
CID 23078200
(E)-3-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]pent-2-en-1-ol;hydrochloride
CID 23078219
1-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methylbutan-1-ol
CID 141165630
[2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methylpentyl] dihydrogen phosphate
CID 58672855
5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methyl-1-phosphorosooxypentan-2-amine;hydrate
CID 161057926
methyl 2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-2-(hydroxymethyl)pent-4-ynoate
CID 23078193
[(2R)-2-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
CID 51529911
tert-butyl N-[7-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-4-(hydroxymethyl)hept-2-en-4-yl]carbamate
CID 91004743
[3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1,1-difluoro-2-hydroxy-3-(hydroxymethyl)hexoxy]-hydroxy-oxophosphanium
CID 162621590
[(E)-3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-propylhex-1-enyl]phosphonic acid
CID 23094189
2-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]acetyl chloride
CID 87260314
4-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-4-ethyl-1,3-oxazolidin-2-one
CID 59383841

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol?
The IUPAC name of 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol (CID 59837293) is 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol?
The canonical SMILES for 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol is OCCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol?
The InChIKey is VUZCVTMNWLNIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClO2S/c23-22-15-21(12-11-18(22)8-5-13-24)26-20-10-4-9-19(14-20)25-16-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-15,24H,5,8,13,16H2.
What are the key properties of 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol?
3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol has a molecular weight of 384.93 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propan-1-ol is sourced from PubChem (CID 59837293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).