[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol

C19H19FO2S — CID 142348755

IUPAC[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1)CCC1C(CO)C21S(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FO2S/c1-12-2-8-16-13(10-12)3-9-17-18(11-21)19(16,17)23(22)15-6-4-14(20)5-7-15/h2,4-8,10,17-18,21H,3,9,11H2,1H3
InChIKeyHYWNSQUMUOMYMZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.32
Rot. Bonds3

About [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol

[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol (PubChem CID 142348755) has the molecular formula C19H19FO2S and a molecular weight of 330.42 g/mol. Its IUPAC name is [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol
PubChem CID142348755
Molecular FormulaC19H19FO2S
Molecular Weight330.42 g/mol
Exact Mass330.11
IUPAC Name[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1)CCC1C(CO)C21S(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FO2S/c1-12-2-8-16-13(10-12)3-9-17-18(11-21)19(16,17)23(22)15-6-4-14(20)5-7-15/h2,4-8,10,17-18,21H,3,9,11H2,1H3
InChIKeyHYWNSQUMUOMYMZ-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol?
The IUPAC name of [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol (CID 142348755) is [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol.
What is the SMILES notation for [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol?
The canonical SMILES for [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol is Cc1ccc2c(c1)CCC1C(CO)C21S(=O)c1ccc(F)cc1.
What is the InChIKey of [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol?
The InChIKey is HYWNSQUMUOMYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2S/c1-12-2-8-16-13(10-12)3-9-17-18(11-21)19(16,17)23(22)15-6-4-14(20)5-7-15/h2,4-8,10,17-18,21H,3,9,11H2,1H3.
What are the key properties of [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol?
[7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol has a molecular weight of 330.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7b-(4-fluorophenyl)sulfinyl-5-methyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-1-yl]methanol is sourced from PubChem (CID 142348755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).