1-methoxy-2-phenylbenzene;2-methylthiophene

C18H18OS — CID 174457563

IUPAC1-methoxy-2-phenylbenzene;2-methylthiophene
SMILESCOc1ccccc1-c1ccccc1.Cc1cccs1
InChIInChI=1S/C13H12O.C5H6S/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3
InChIKeyHEFFYXZILVASLF-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.42
Rot. Bonds2

About 1-methoxy-2-phenylbenzene;2-methylthiophene

1-methoxy-2-phenylbenzene;2-methylthiophene (PubChem CID 174457563) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-methoxy-2-phenylbenzene;2-methylthiophene.

Molecular Properties

Compound Name1-methoxy-2-phenylbenzene;2-methylthiophene
PubChem CID174457563
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name1-methoxy-2-phenylbenzene;2-methylthiophene
SMILESCOc1ccccc1-c1ccccc1.Cc1cccs1
InChIInChI=1S/C13H12O.C5H6S/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3
InChIKeyHEFFYXZILVASLF-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-phenylbenzene;2-methylthiophene 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-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
2-methylthiophene;toluene
CID 142082990
2-methylthionine;dihydrate
CID 118481373
2-methylthiophene;hydroiodide
CID 173425781
ethane;2-methylthiophene
CID 90990568
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
1-iodo-2,3,5,6-tetrakis(2-methoxyphenyl)-4-methylbenzene
CID 145152049
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylbenzene;2-methylthiophene?
The IUPAC name of 1-methoxy-2-phenylbenzene;2-methylthiophene (CID 174457563) is 1-methoxy-2-phenylbenzene;2-methylthiophene.
What is the SMILES notation for 1-methoxy-2-phenylbenzene;2-methylthiophene?
The canonical SMILES for 1-methoxy-2-phenylbenzene;2-methylthiophene is COc1ccccc1-c1ccccc1.Cc1cccs1.
What is the InChIKey of 1-methoxy-2-phenylbenzene;2-methylthiophene?
The InChIKey is HEFFYXZILVASLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C5H6S/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5-3-2-4-6-5/h2-10H,1H3;2-4H,1H3.
What are the key properties of 1-methoxy-2-phenylbenzene;2-methylthiophene?
1-methoxy-2-phenylbenzene;2-methylthiophene has a molecular weight of 282.41 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylbenzene;2-methylthiophene is sourced from PubChem (CID 174457563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).