1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene

C18H20O4S — CID 10592693

IUPAC1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene
SMILESC=C(COCc1ccc(OC)cc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O4S/c1-15(14-23(19,20)18-6-4-3-5-7-18)12-22-13-16-8-10-17(21-2)11-9-16/h3-11H,1,12-14H2,2H3
InChIKeyQUIYEOLEHZIKFN-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.24
Rot. Bonds8

About 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene

1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene (PubChem CID 10592693) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene
PubChem CID10592693
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene
SMILESC=C(COCc1ccc(OC)cc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O4S/c1-15(14-23(19,20)18-6-4-3-5-7-18)12-22-13-16-8-10-17(21-2)11-9-16/h3-11H,1,12-14H2,2H3
InChIKeyQUIYEOLEHZIKFN-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
1-(benzenesulfonylsulfonylmethyl)-4-methoxybenzene
CID 67568906
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
1-methoxy-4-[[4-(methoxymethoxy)-2-methylidenebutoxy]methyl]benzene
CID 89374249
2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate
CID 102311689
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
CID 175957833
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
CID 73028468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene (CID 10592693) is 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene is C=C(COCc1ccc(OC)cc1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene?
The InChIKey is QUIYEOLEHZIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S/c1-15(14-23(19,20)18-6-4-3-5-7-18)12-22-13-16-8-10-17(21-2)11-9-16/h3-11H,1,12-14H2,2H3.
What are the key properties of 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene?
1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene has a molecular weight of 332.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene is sourced from PubChem (CID 10592693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).