1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene

C21H20O — CID 175309090

IUPAC1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
SMILESCc1cc(-c2ccccc2)cc(OCc2ccccc2)c1C
InChIInChI=1S/C21H20O/c1-16-13-20(19-11-7-4-8-12-19)14-21(17(16)2)22-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3
InChIKeyHGSYRDTVHSNFQT-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.55
Rot. Bonds4

About 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene

1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene (PubChem CID 175309090) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
PubChem CID175309090
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
SMILESCc1cc(-c2ccccc2)cc(OCc2ccccc2)c1C
InChIInChI=1S/C21H20O/c1-16-13-20(19-11-7-4-8-12-19)14-21(17(16)2)22-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3
InChIKeyHGSYRDTVHSNFQT-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
CID 130456710
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
CID 18718071
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
ethane;3-phenyl-4-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene;propane
CID 91241217
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081
5-phenyl-2-phenylmethoxyphenol
CID 11994792

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene?
The IUPAC name of 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene (CID 175309090) is 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene.
What is the SMILES notation for 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene?
The canonical SMILES for 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene is Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1C.
What is the InChIKey of 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene?
The InChIKey is HGSYRDTVHSNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-16-13-20(19-11-7-4-8-12-19)14-21(17(16)2)22-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene?
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene has a molecular weight of 288.39 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene is sourced from PubChem (CID 175309090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).