1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene

C18H20O2S — CID 19986992

IUPAC1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(OC)cc1)c1ccccc1SC
InChIInChI=1S/C18H20O2S/c1-4-17(16-7-5-6-8-18(16)21-3)20-13-14-9-11-15(19-2)12-10-14/h4-12,17H,1,13H2,2-3H3
InChIKeySAROFISYSSACEB-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.86
Rot. Bonds7

About 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene

1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene (PubChem CID 19986992) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene
PubChem CID19986992
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(OC)cc1)c1ccccc1SC
InChIInChI=1S/C18H20O2S/c1-4-17(16-7-5-6-8-18(16)21-3)20-13-14-9-11-15(19-2)12-10-14/h4-12,17H,1,13H2,2-3H3
InChIKeySAROFISYSSACEB-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
CID 19986996
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
1-[bromo-(4-methoxyphenyl)methyl]-2-methylsulfanylbenzene
CID 79217010
2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene (CID 19986992) is 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene is C=CC(OCc1ccc(OC)cc1)c1ccccc1SC.
What is the InChIKey of 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene?
The InChIKey is SAROFISYSSACEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-4-17(16-7-5-6-8-18(16)21-3)20-13-14-9-11-15(19-2)12-10-14/h4-12,17H,1,13H2,2-3H3.
What are the key properties of 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene?
1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene has a molecular weight of 300.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene is sourced from PubChem (CID 19986992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).