4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol

C15H14Cl2O3S — CID 19981788

IUPAC4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
SMILESOc1ccc(SCC(O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3S/c16-10-1-6-15(14(17)7-10)20-8-12(19)9-21-13-4-2-11(18)3-5-13/h1-7,12,18-19H,8-9H2
InChIKeyLBGNLBYUOGXGTD-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.23
Rot. Bonds6

About 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol

4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol (PubChem CID 19981788) has the molecular formula C15H14Cl2O3S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
PubChem CID19981788
Molecular FormulaC15H14Cl2O3S
Molecular Weight345.25 g/mol
Exact Mass344.00
IUPAC Name4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
SMILESOc1ccc(SCC(O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3S/c16-10-1-6-15(14(17)7-10)20-8-12(19)9-21-13-4-2-11(18)3-5-13/h1-7,12,18-19H,8-9H2
InChIKeyLBGNLBYUOGXGTD-UHFFFAOYSA-N
XLogP4.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,4-dimethoxyphenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981837
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
CID 19981814
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol?
The IUPAC name of 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol (CID 19981788) is 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol.
What is the SMILES notation for 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol?
The canonical SMILES for 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol is Oc1ccc(SCC(O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol?
The InChIKey is LBGNLBYUOGXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3S/c16-10-1-6-15(14(17)7-10)20-8-12(19)9-21-13-4-2-11(18)3-5-13/h1-7,12,18-19H,8-9H2.
What are the key properties of 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol?
4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol has a molecular weight of 345.25 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol is sourced from PubChem (CID 19981788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).