1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol

C15H16O2S — CID 15115029

IUPAC1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1cccc(Sc2ccccc2C(C)O)c1
InChIInChI=1S/C15H16O2S/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-11,16H,1-2H3
InChIKeyLPMZUCCCSIZTAK-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.90
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol

1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol (PubChem CID 15115029) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
PubChem CID15115029
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1cccc(Sc2ccccc2C(C)O)c1
InChIInChI=1S/C15H16O2S/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-11,16H,1-2H3
InChIKeyLPMZUCCCSIZTAK-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol (CID 15115029) is 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol is COc1cccc(Sc2ccccc2C(C)O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol?
The InChIKey is LPMZUCCCSIZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-11,16H,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol?
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol has a molecular weight of 260.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 15115029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).