1-methyl-2-phenyl-3-phenylmethoxybenzene

C20H18O — CID 170694613

IUPAC1-methyl-2-phenyl-3-phenylmethoxybenzene
SMILESCc1cccc(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18O/c1-16-9-8-14-19(20(16)18-12-6-3-7-13-18)21-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3
InChIKeyOEVVAXQZPFDGMD-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.24
Rot. Bonds4

About 1-methyl-2-phenyl-3-phenylmethoxybenzene

1-methyl-2-phenyl-3-phenylmethoxybenzene (PubChem CID 170694613) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methyl-2-phenyl-3-phenylmethoxybenzene
PubChem CID170694613
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-methyl-2-phenyl-3-phenylmethoxybenzene
SMILESCc1cccc(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18O/c1-16-9-8-14-19(20(16)18-12-6-3-7-13-18)21-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3
InChIKeyOEVVAXQZPFDGMD-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
2-cyclopropyl-3-phenylmethoxyaniline
CID 171391047

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-3-phenylmethoxybenzene?
The IUPAC name of 1-methyl-2-phenyl-3-phenylmethoxybenzene (CID 170694613) is 1-methyl-2-phenyl-3-phenylmethoxybenzene.
What is the SMILES notation for 1-methyl-2-phenyl-3-phenylmethoxybenzene?
The canonical SMILES for 1-methyl-2-phenyl-3-phenylmethoxybenzene is Cc1cccc(OCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-3-phenylmethoxybenzene?
The InChIKey is OEVVAXQZPFDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-16-9-8-14-19(20(16)18-12-6-3-7-13-18)21-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3.
What are the key properties of 1-methyl-2-phenyl-3-phenylmethoxybenzene?
1-methyl-2-phenyl-3-phenylmethoxybenzene has a molecular weight of 274.36 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3-phenylmethoxybenzene is sourced from PubChem (CID 170694613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).