2-methoxy-1-propan-2-ylsulfanylnaphthalene

C14H16OS — CID 170412845

IUPAC2-methoxy-1-propan-2-ylsulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1SC(C)C
InChIInChI=1S/C14H16OS/c1-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-10H,1-3H3
InChIKeyZPFSZRGNIVPRQH-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.35
Rot. Bonds3

About 2-methoxy-1-propan-2-ylsulfanylnaphthalene

2-methoxy-1-propan-2-ylsulfanylnaphthalene (PubChem CID 170412845) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methoxy-1-propan-2-ylsulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1-propan-2-ylsulfanylnaphthalene
PubChem CID170412845
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-methoxy-1-propan-2-ylsulfanylnaphthalene
SMILESCOc1ccc2ccccc2c1SC(C)C
InChIInChI=1S/C14H16OS/c1-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-10H,1-3H3
InChIKeyZPFSZRGNIVPRQH-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptylsulfanyl-2-methoxynaphthalene
CID 10755818
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
CID 146007288
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
1-ethoxy-2-methoxynaphthalene
CID 45093938
(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
CID 103091403
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-propan-2-ylsulfanylnaphthalene?
The IUPAC name of 2-methoxy-1-propan-2-ylsulfanylnaphthalene (CID 170412845) is 2-methoxy-1-propan-2-ylsulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-1-propan-2-ylsulfanylnaphthalene?
The canonical SMILES for 2-methoxy-1-propan-2-ylsulfanylnaphthalene is COc1ccc2ccccc2c1SC(C)C.
What is the InChIKey of 2-methoxy-1-propan-2-ylsulfanylnaphthalene?
The InChIKey is ZPFSZRGNIVPRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-10H,1-3H3.
What are the key properties of 2-methoxy-1-propan-2-ylsulfanylnaphthalene?
2-methoxy-1-propan-2-ylsulfanylnaphthalene has a molecular weight of 232.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-propan-2-ylsulfanylnaphthalene is sourced from PubChem (CID 170412845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).