1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol

C17H20O2S — CID 64666153

IUPAC1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
SMILESCOc1ccc(C)cc1CSc1cccc(C(C)O)c1
InChIInChI=1S/C17H20O2S/c1-12-7-8-17(19-3)15(9-12)11-20-16-6-4-5-14(10-16)13(2)18/h4-10,13,18H,11H2,1-3H3
InChIKeyMVFUDWRXURFTNI-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.35
Rot. Bonds5

About 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol

1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol (PubChem CID 64666153) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
PubChem CID64666153
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
SMILESCOc1ccc(C)cc1CSc1cccc(C(C)O)c1
InChIInChI=1S/C17H20O2S/c1-12-7-8-17(19-3)15(9-12)11-20-16-6-4-5-14(10-16)13(2)18/h4-10,13,18H,11H2,1-3H3
InChIKeyMVFUDWRXURFTNI-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
CID 64664899
1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 64667045
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
CID 43302415
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79682242
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid
CID 43092549
2-[[3-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 64664051
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474
1-[4-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]butan-1-one
CID 94779629
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol (CID 64666153) is 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol is COc1ccc(C)cc1CSc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is MVFUDWRXURFTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-12-7-8-17(19-3)15(9-12)11-20-16-6-4-5-14(10-16)13(2)18/h4-10,13,18H,11H2,1-3H3.
What are the key properties of 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol?
1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 288.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 64666153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).