1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene

C23H22O2 — CID 123206589

IUPAC1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
SMILESC=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C
InChIInChI=1S/C23H22O2/c1-3-21-14-22(24-16-19-10-6-4-7-11-19)15-23(18(21)2)25-17-20-12-8-5-9-13-20/h3-15H,1,16-17H2,2H3
InChIKeyADDBEXPNRAPRSC-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.80
Rot. Bonds7

About 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene

1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene (PubChem CID 123206589) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
PubChem CID123206589
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
SMILESC=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C
InChIInChI=1S/C23H22O2/c1-3-21-14-22(24-16-19-10-6-4-7-11-19)15-23(18(21)2)25-17-20-12-8-5-9-13-20/h3-15H,1,16-17H2,2H3
InChIKeyADDBEXPNRAPRSC-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-6-methyl-4-phenylmethoxyaniline
CID 143575474
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
CID 6709920
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene (CID 123206589) is 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene is C=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C.
What is the InChIKey of 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene?
The InChIKey is ADDBEXPNRAPRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-3-21-14-22(24-16-19-10-6-4-7-11-19)15-23(18(21)2)25-17-20-12-8-5-9-13-20/h3-15H,1,16-17H2,2H3.
What are the key properties of 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene?
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene has a molecular weight of 330.43 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 123206589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).