1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol

C16H20O4S — CID 65148541

IUPAC1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ccc2cc(C(O)CCCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C16H20O4S/c1-20-15-8-7-12-10-14(6-5-13(12)11-15)16(17)4-3-9-21(2,18)19/h5-8,10-11,16-17H,3-4,9H2,1-2H3
InChIKeyDWQOZDURYBVGCU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.71
Rot. Bonds6

About 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol

1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 65148541) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID65148541
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ccc2cc(C(O)CCCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C16H20O4S/c1-20-15-8-7-12-10-14(6-5-13(12)11-15)16(17)4-3-9-21(2,18)19/h5-8,10-11,16-17H,3-4,9H2,1-2H3
InChIKeyDWQOZDURYBVGCU-UHFFFAOYSA-N
XLogP2.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 114938017
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol (CID 65148541) is 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol is COc1ccc2cc(C(O)CCCS(C)(=O)=O)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is DWQOZDURYBVGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4S/c1-20-15-8-7-12-10-14(6-5-13(12)11-15)16(17)4-3-9-21(2,18)19/h5-8,10-11,16-17H,3-4,9H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol?
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 308.40 g/mol, XLogP of 2.71, 6 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)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 65148541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).