1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene

C18H20O2S — CID 70657639

IUPAC1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene
SMILESC=C(COc1ccccc1)CSc1ccc(OC)c(C)c1
InChIInChI=1S/C18H20O2S/c1-14(12-20-16-7-5-4-6-8-16)13-21-17-9-10-18(19-3)15(2)11-17/h4-11H,1,12-13H2,2-3H3
InChIKeyOBJYCKNVSSMZLQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.73
Rot. Bonds7

About 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene

1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene (PubChem CID 70657639) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene
PubChem CID70657639
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene
SMILESC=C(COc1ccccc1)CSc1ccc(OC)c(C)c1
InChIInChI=1S/C18H20O2S/c1-14(12-20-16-7-5-4-6-8-16)13-21-17-9-10-18(19-3)15(2)11-17/h4-11H,1,12-13H2,2-3H3
InChIKeyOBJYCKNVSSMZLQ-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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

1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
CID 70657654
ethyl [2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]phenyl] carbonate
CID 59141105
2,4-dichloro-1-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
CID 70657643
CID 58534126
CID 58534126
2-[4-[2-[[4-(dimethylamino)phenoxy]methyl]prop-2-enylsulfanyl]-2-methylphenoxy]ethyl acetate
CID 174510220
1-[4-[2-[[4-(dimethylamino)phenoxy]methyl]prop-2-enylsulfanyl]-2-methylphenoxy]ethyl acetate
CID 174510221
1-chloro-4-[2-[(3-methyl-4-propoxyphenyl)sulfanylmethyl]prop-2-enoxy]-2-(trifluoromethyl)benzene
CID 58534144
1-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenoxy]prop-1-enyl]naphthalene
CID 70657660
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one
CID 70658547
CID 58534098
CID 58534098
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene?
The IUPAC name of 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene (CID 70657639) is 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene is C=C(COc1ccccc1)CSc1ccc(OC)c(C)c1.
What is the InChIKey of 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene?
The InChIKey is OBJYCKNVSSMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-14(12-20-16-7-5-4-6-8-16)13-21-17-9-10-18(19-3)15(2)11-17/h4-11H,1,12-13H2,2-3H3.
What are the key properties of 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene?
1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene has a molecular weight of 300.42 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]benzene is sourced from PubChem (CID 70657639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).