1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol

C11H15ClOS — CID 65132101

IUPAC1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClOS/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWWSMHXAYOOBDSU-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol

1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol (PubChem CID 65132101) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
PubChem CID65132101
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClOS/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWWSMHXAYOOBDSU-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
3-(3-chlorophenyl)butan-2-ol
CID 66437186
(3-chlorophenyl)methanediol
CID 20679602
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
1-(3-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanol
CID 111472427
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol (CID 65132101) is 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol is CC(C)SCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol?
The InChIKey is WWSMHXAYOOBDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol?
1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol has a molecular weight of 230.76 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol is sourced from PubChem (CID 65132101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).