(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol

C16H24OS — CID 10923423

IUPAC(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol
SMILESCSc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@H](C)CO
InChIInChI=1S/C16H24OS/c1-10-7-14-13(12(3)9-17)6-5-11(2)16(14)15(8-10)18-4/h7-8,11-13,17H,5-6,9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyKIFVWJNGWCWTLF-UPJWGTAASA-N
MW264.43 g/mol
LogP4.33
Rot. Bonds3

About (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol

(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol (PubChem CID 10923423) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol
PubChem CID10923423
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol
SMILESCSc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@H](C)CO
InChIInChI=1S/C16H24OS/c1-10-7-14-13(12(3)9-17)6-5-11(2)16(14)15(8-10)18-4/h7-8,11-13,17H,5-6,9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyKIFVWJNGWCWTLF-UPJWGTAASA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol (CID 10923423) is (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol is CSc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@H](C)CO.
What is the InChIKey of (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol?
The InChIKey is KIFVWJNGWCWTLF-UPJWGTAASA-N. The full InChI is InChI=1S/C16H24OS/c1-10-7-14-13(12(3)9-17)6-5-11(2)16(14)15(8-10)18-4/h7-8,11-13,17H,5-6,9H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol?
(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol has a molecular weight of 264.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol is sourced from PubChem (CID 10923423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).