benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane

C16H18OS — CID 100953226

IUPACbenzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
SMILESC=S(Cc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C16H18OS/c1-17-16-10-8-15(9-11-16)13-18(2)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyGBULVSPRNZBZDO-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.10
Rot. Bonds5

About benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane

benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane (PubChem CID 100953226) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane.

Molecular Properties

Compound Namebenzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
PubChem CID100953226
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Namebenzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
SMILESC=S(Cc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C16H18OS/c1-17-16-10-8-15(9-11-16)13-18(2)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyGBULVSPRNZBZDO-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
benzyl-[(4-methoxyphenyl)methyl]carbamodithioic acid
CID 122204874
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719

Frequently Asked Questions

What is the IUPAC name of benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane?
The IUPAC name of benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane (CID 100953226) is benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane.
What is the SMILES notation for benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane?
The canonical SMILES for benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane is C=S(Cc1ccccc1)Cc1ccc(OC)cc1.
What is the InChIKey of benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane?
The InChIKey is GBULVSPRNZBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-17-16-10-8-15(9-11-16)13-18(2)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane?
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane has a molecular weight of 258.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane is sourced from PubChem (CID 100953226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).