2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene

C24H22OS — CID 139632433

IUPAC2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene
SMILESC=Cc1ccc(C=C)c(SCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C24H22OS/c1-3-21-15-16-22(4-2)24(26-18-20-13-9-6-10-14-20)23(21)25-17-19-11-7-5-8-12-19/h3-16H,1-2,17-18H2
InChIKeyBBHINHLQYOZDOF-UHFFFAOYSA-N
MW358.51 g/mol
LogP6.84
Rot. Bonds8

About 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene

2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene (PubChem CID 139632433) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene
PubChem CID139632433
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Name2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene
SMILESC=Cc1ccc(C=C)c(SCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C24H22OS/c1-3-21-15-16-22(4-2)24(26-18-20-13-9-6-10-14-20)23(21)25-17-19-11-7-5-8-12-19/h3-16H,1-2,17-18H2
InChIKeyBBHINHLQYOZDOF-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene
CID 177032535
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
1-ethenyl-4-(phenoxymethyl)naphthalene
CID 22172419
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
2-ethenyl-6-methyl-4-phenylmethoxyaniline
CID 143575474
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene?
The IUPAC name of 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene (CID 139632433) is 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene.
What is the SMILES notation for 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene?
The canonical SMILES for 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene is C=Cc1ccc(C=C)c(SCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene?
The InChIKey is BBHINHLQYOZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22OS/c1-3-21-15-16-22(4-2)24(26-18-20-13-9-6-10-14-20)23(21)25-17-19-11-7-5-8-12-19/h3-16H,1-2,17-18H2.
What are the key properties of 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene?
2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene has a molecular weight of 358.51 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene is sourced from PubChem (CID 139632433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).