5-methoxy-1,2-dimethyl-3-phenylbenzene

C15H16O — CID 67554747

IUPAC5-methoxy-1,2-dimethyl-3-phenylbenzene
SMILESCOc1cc(C)c(C)c(-c2ccccc2)c1
InChIInChI=1S/C15H16O/c1-11-9-14(16-3)10-15(12(11)2)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyWBKVUNQKZJTBTA-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.98
Rot. Bonds2

About 5-methoxy-1,2-dimethyl-3-phenylbenzene

5-methoxy-1,2-dimethyl-3-phenylbenzene (PubChem CID 67554747) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-3-phenylbenzene.

Molecular Properties

Compound Name5-methoxy-1,2-dimethyl-3-phenylbenzene
PubChem CID67554747
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name5-methoxy-1,2-dimethyl-3-phenylbenzene
SMILESCOc1cc(C)c(C)c(-c2ccccc2)c1
InChIInChI=1S/C15H16O/c1-11-9-14(16-3)10-15(12(11)2)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyWBKVUNQKZJTBTA-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
CID 91366779
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
1,3-dimethoxy-5-phenylbenzene
CID 11469945
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
6-methoxy-4-phenyl-1H-indazole
CID 127046307
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
6-methoxy-2-methyl-4-phenyl-1H-benzimidazole
CID 145163449
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-3-phenylbenzene?
The IUPAC name of 5-methoxy-1,2-dimethyl-3-phenylbenzene (CID 67554747) is 5-methoxy-1,2-dimethyl-3-phenylbenzene.
What is the SMILES notation for 5-methoxy-1,2-dimethyl-3-phenylbenzene?
The canonical SMILES for 5-methoxy-1,2-dimethyl-3-phenylbenzene is COc1cc(C)c(C)c(-c2ccccc2)c1.
What is the InChIKey of 5-methoxy-1,2-dimethyl-3-phenylbenzene?
The InChIKey is WBKVUNQKZJTBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11-9-14(16-3)10-15(12(11)2)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of 5-methoxy-1,2-dimethyl-3-phenylbenzene?
5-methoxy-1,2-dimethyl-3-phenylbenzene has a molecular weight of 212.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethyl-3-phenylbenzene is sourced from PubChem (CID 67554747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).