(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol

C16H17ClO2S — CID 35672224

IUPAC(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SC[C@H](O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2S/c1-12-2-8-16(9-3-12)20-11-14(18)10-19-15-6-4-13(17)5-7-15/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyLHEVISICGQGQTD-CQSZACIVSA-N
MW308.83 g/mol
LogP4.18
Rot. Bonds6

About (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol

(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 35672224) has the molecular formula C16H17ClO2S and a molecular weight of 308.83 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID35672224
Molecular FormulaC16H17ClO2S
Molecular Weight308.83 g/mol
Exact Mass308.06
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SC[C@H](O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2S/c1-12-2-8-16(9-3-12)20-11-14(18)10-19-15-6-4-13(17)5-7-15/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyLHEVISICGQGQTD-CQSZACIVSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-[2-methoxy-3-(4-methylphenoxy)propyl]sulfanylbenzene;ethane
CID 155718948
1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
CID 155719025
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 62268494
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2942760
1-[3-methyl-4-[(4-methyl-1,3-dioxetan-2-yl)methoxy]phenyl]sulfanyl-3-(4-methylphenoxy)propan-2-ol
CID 70836912
1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155719019
1-butylsulfanyl-3-(4-chlorophenoxy)propan-2-ol
CID 11346386

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 35672224) is (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SC[C@H](O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is LHEVISICGQGQTD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClO2S/c1-12-2-8-16(9-3-12)20-11-14(18)10-19-15-6-4-13(17)5-7-15/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 308.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 35672224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).