1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol

C10H13ClO2S — CID 117337308

IUPAC1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)O)cc1SC
InChIInChI=1S/C10H13ClO2S/c1-6(12)7-4-8(11)10(13-2)9(5-7)14-3/h4-6,12H,1-3H3
InChIKeyPNBVJEUKTAPRGW-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.12
Rot. Bonds3

About 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol

1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol (PubChem CID 117337308) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
PubChem CID117337308
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)O)cc1SC
InChIInChI=1S/C10H13ClO2S/c1-6(12)7-4-8(11)10(13-2)9(5-7)14-3/h4-6,12H,1-3H3
InChIKeyPNBVJEUKTAPRGW-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574
1-[3-chloro-4,5-bis(methylsulfanyl)phenyl]ethanol
CID 117375050
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol (CID 117337308) is 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol is COc1c(Cl)cc(C(C)O)cc1SC.
What is the InChIKey of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
The InChIKey is PNBVJEUKTAPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-6(12)7-4-8(11)10(13-2)9(5-7)14-3/h4-6,12H,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol?
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol has a molecular weight of 232.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).