2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol

C15H24O4S — CID 106734391

IUPAC2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CO)Cc1ccccc1OC
InChIInChI=1S/C15H24O4S/c1-3-9-20(17,18)10-8-13(12-16)11-14-6-4-5-7-15(14)19-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyGVVGHAVZBZXSBT-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.06
Rot. Bonds9

About 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol

2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol (PubChem CID 106734391) has the molecular formula C15H24O4S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
PubChem CID106734391
Molecular FormulaC15H24O4S
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Name2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCC(CO)Cc1ccccc1OC
InChIInChI=1S/C15H24O4S/c1-3-9-20(17,18)10-8-13(12-16)11-14-6-4-5-7-15(14)19-2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyGVVGHAVZBZXSBT-UHFFFAOYSA-N
XLogP2.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-amine
CID 106729586
1-[2-(chloromethyl)-4-propylsulfonylbutyl]-2-methoxybenzene
CID 106734545
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761
2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
1-[2-(bromomethyl)-4-methylsulfonylbutyl]-2-methoxybenzene
CID 66041153
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
2-[(4-chlorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734361
2-[(2-methoxyphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627901
2-[(3-fluorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734373
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol (CID 106734391) is 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol is CCCS(=O)(=O)CCC(CO)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol?
The InChIKey is GVVGHAVZBZXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S/c1-3-9-20(17,18)10-8-13(12-16)11-14-6-4-5-7-15(14)19-2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol?
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol has a molecular weight of 300.42 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol is sourced from PubChem (CID 106734391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).