1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C16H16Cl2OS — CID 66097992

IUPAC1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2OS/c1-11-5-2-3-8-16(11)20-10-12(19)9-13-14(17)6-4-7-15(13)18/h2-8,12,19H,9-10H2,1H3
InChIKeyRSIDCXBLBMGSID-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.00
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66097992) has the molecular formula C16H16Cl2OS and a molecular weight of 327.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID66097992
Molecular FormulaC16H16Cl2OS
Molecular Weight327.28 g/mol
Exact Mass326.03
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2OS/c1-11-5-2-3-8-16(11)20-10-12(19)9-13-14(17)6-4-7-15(13)18/h2-8,12,19H,9-10H2,1H3
InChIKeyRSIDCXBLBMGSID-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 107560396

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 66097992) is 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccccc1SCC(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is RSIDCXBLBMGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2OS/c1-11-5-2-3-8-16(11)20-10-12(19)9-13-14(17)6-4-7-15(13)18/h2-8,12,19H,9-10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 327.28 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66097992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).