(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol

C12H18O3S — CID 15044964

IUPAC(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
SMILESCCCOc1c(OC)cc(CO)cc1SC
InChIInChI=1S/C12H18O3S/c1-4-5-15-12-10(14-2)6-9(8-13)7-11(12)16-3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyJAFFBBOJWHNWMM-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.70
Rot. Bonds6

About (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol

(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol (PubChem CID 15044964) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
PubChem CID15044964
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
SMILESCCCOc1c(OC)cc(CO)cc1SC
InChIInChI=1S/C12H18O3S/c1-4-5-15-12-10(14-2)6-9(8-13)7-11(12)16-3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyJAFFBBOJWHNWMM-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
(1S,2S,5S)-2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-ol
CID 67914080
2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
CID 15044979
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
[3-bromo-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanol
CID 113473758
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
CID 68686622
1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
CID 141497622
1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
CID 57191517
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butan-1-amine
CID 117391930
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol?
The IUPAC name of (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol (CID 15044964) is (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol.
What is the SMILES notation for (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol?
The canonical SMILES for (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol is CCCOc1c(OC)cc(CO)cc1SC.
What is the InChIKey of (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol?
The InChIKey is JAFFBBOJWHNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-4-5-15-12-10(14-2)6-9(8-13)7-11(12)16-3/h6-7,13H,4-5,8H2,1-3H3.
What are the key properties of (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol?
(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol has a molecular weight of 242.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol is sourced from PubChem (CID 15044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).