(1R)-1-(3-propylsulfanylphenyl)ethanol

C11H16OS — CID 96718323

IUPAC(1R)-1-(3-propylsulfanylphenyl)ethanol
SMILESCCCSc1cccc([C@@H](C)O)c1
InChIInChI=1S/C11H16OS/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8-9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyUSGQWIXXRBPROV-SECBINFHSA-N
MW196.31 g/mol
LogP3.24
Rot. Bonds4

About (1R)-1-(3-propylsulfanylphenyl)ethanol

(1R)-1-(3-propylsulfanylphenyl)ethanol (PubChem CID 96718323) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (1R)-1-(3-propylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-propylsulfanylphenyl)ethanol
PubChem CID96718323
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(1R)-1-(3-propylsulfanylphenyl)ethanol
SMILESCCCSc1cccc([C@@H](C)O)c1
InChIInChI=1S/C11H16OS/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8-9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyUSGQWIXXRBPROV-SECBINFHSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
CID 64665944
1-[3-(3-methylbut-3-enylsulfanyl)phenyl]ethanol
CID 114476943
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
CID 64665322
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
4-[3-(1-hydroxyethyl)phenyl]sulfanyl-N,N-dimethylbutanamide
CID 64667036
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
1-[3-[2-(4-nitrophenyl)ethylsulfanyl]phenyl]ethanol
CID 64666352
1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
CID 64665099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-propylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-propylsulfanylphenyl)ethanol (CID 96718323) is (1R)-1-(3-propylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-propylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-propylsulfanylphenyl)ethanol is CCCSc1cccc([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-(3-propylsulfanylphenyl)ethanol?
The InChIKey is USGQWIXXRBPROV-SECBINFHSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8-9,12H,3,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-propylsulfanylphenyl)ethanol?
(1R)-1-(3-propylsulfanylphenyl)ethanol has a molecular weight of 196.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-propylsulfanylphenyl)ethanol is sourced from PubChem (CID 96718323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).