1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol

C15H18O4S — CID 65148590

IUPAC1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc2cc(C(O)CCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C15H18O4S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)15(16)7-8-20(2,17)18/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyWYJNBSKSQLEQFS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol

1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol (PubChem CID 65148590) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
PubChem CID65148590
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc2cc(C(O)CCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C15H18O4S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)15(16)7-8-20(2,17)18/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyWYJNBSKSQLEQFS-UHFFFAOYSA-N
XLogP2.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
CID 129056877
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol (CID 65148590) is 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol is COc1ccc2cc(C(O)CCS(C)(=O)=O)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol?
The InChIKey is WYJNBSKSQLEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)15(16)7-8-20(2,17)18/h3-6,9-10,15-16H,7-8H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol?
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 65148590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).