1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene

C28H24O — CID 58238534

IUPAC1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
SMILESC=C(c1ccccc1C)c1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H24O/c1-21-12-9-10-17-25(21)22(2)26-18-11-19-27(24-15-7-4-8-16-24)28(26)29-20-23-13-5-3-6-14-23/h3-19H,2,20H2,1H3
InChIKeyBMKLHKNLVXSUID-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.30
Rot. Bonds6

About 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene

1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene (PubChem CID 58238534) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
PubChem CID58238534
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
SMILESC=C(c1ccccc1C)c1cccc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C28H24O/c1-21-12-9-10-17-25(21)22(2)26-18-11-19-27(24-15-7-4-8-16-24)28(26)29-20-23-13-5-3-6-14-23/h3-19H,2,20H2,1H3
InChIKeyBMKLHKNLVXSUID-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine
CID 58238539
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
CID 58238515
(3-tert-butyl-2-phenylmethoxyphenyl)-(2-methoxy-3-phenylphenyl)methanol
CID 70653939
3-(4-nitrophenyl)-2-phenylmethoxybenzoic acid
CID 70183930
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene
CID 14986463
2-phenylmethoxybenzene-1,3-diol
CID 15652625
benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone
CID 25068065
2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
CID 171037127

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene?
The IUPAC name of 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene (CID 58238534) is 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene is C=C(c1ccccc1C)c1cccc(-c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene?
The InChIKey is BMKLHKNLVXSUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O/c1-21-12-9-10-17-25(21)22(2)26-18-11-19-27(24-15-7-4-8-16-24)28(26)29-20-23-13-5-3-6-14-23/h3-19H,2,20H2,1H3.
What are the key properties of 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene?
1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene has a molecular weight of 376.50 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene is sourced from PubChem (CID 58238534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).