[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol

C14H13ClO2S — CID 63835528

IUPAC[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
SMILESCOc1ccccc1Sc1cccc(Cl)c1CO
InChIInChI=1S/C14H13ClO2S/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(15)10(13)9-16/h2-8,16H,9H2,1H3
InChIKeyRLMITNWLBCHHJK-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.99
Rot. Bonds4

About [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol

[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol (PubChem CID 63835528) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
PubChem CID63835528
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
SMILESCOc1ccccc1Sc1cccc(Cl)c1CO
InChIInChI=1S/C14H13ClO2S/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(15)10(13)9-16/h2-8,16H,9H2,1H3
InChIKeyRLMITNWLBCHHJK-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
CID 63813275
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
CID 114070340
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol
CID 63835182
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol?
The IUPAC name of [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol (CID 63835528) is [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol is COc1ccccc1Sc1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol?
The InChIKey is RLMITNWLBCHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(15)10(13)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol?
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol has a molecular weight of 280.78 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63835528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).