2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol

C11H15ClO2S — CID 116852264

IUPAC2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1ccc(SC(C)(C)CO)cc1Cl
InChIInChI=1S/C11H15ClO2S/c1-11(2,7-13)15-8-4-5-10(14-3)9(12)6-8/h4-6,13H,7H2,1-3H3
InChIKeyRKPQBUWLPFSMDI-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.21
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol

2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852264) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852264
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1ccc(SC(C)(C)CO)cc1Cl
InChIInChI=1S/C11H15ClO2S/c1-11(2,7-13)15-8-4-5-10(14-3)9(12)6-8/h4-6,13H,7H2,1-3H3
InChIKeyRKPQBUWLPFSMDI-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852303
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
(3-chloro-4-methoxyphenyl)sulfanylmethanethiol
CID 117033706
2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853493
3-(3-chloro-4-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 80504258
(3-chloro-4-methoxyphenyl)sulfanylhydrazine
CID 117036018
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
2-(3,4-dimethoxyphenyl)sulfanylpropan-2-ol
CID 117034552
3-(3-chloro-4-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135194
4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
CID 91877375

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol (CID 116852264) is 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol is COc1ccc(SC(C)(C)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is RKPQBUWLPFSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-11(2,7-13)15-8-4-5-10(14-3)9(12)6-8/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 246.76 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).