6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol

C17H17FO3S — CID 24865495

IUPAC6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H17FO3S/c1-12-2-5-15(6-3-12)22(20)11-17(19)9-8-13-10-14(18)4-7-16(13)21-17/h2-7,10,19H,8-9,11H2,1H3/t17?,22-/m1/s1
InChIKeyJFOYZLMPPJIBIH-IVAFLUGOSA-N
MW320.38 g/mol
LogP2.96
Rot. Bonds3

About 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol

6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol (PubChem CID 24865495) has the molecular formula C17H17FO3S and a molecular weight of 320.38 g/mol. Its IUPAC name is 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol
PubChem CID24865495
Molecular FormulaC17H17FO3S
Molecular Weight320.38 g/mol
Exact Mass320.09
IUPAC Name6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H17FO3S/c1-12-2-5-15(6-3-12)22(20)11-17(19)9-8-13-10-14(18)4-7-16(13)21-17/h2-7,10,19H,8-9,11H2,1H3/t17?,22-/m1/s1
InChIKeyJFOYZLMPPJIBIH-IVAFLUGOSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol?
The IUPAC name of 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol (CID 24865495) is 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol.
What is the SMILES notation for 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol?
The canonical SMILES for 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol is Cc1ccc([S@](=O)CC2(O)CCc3cc(F)ccc3O2)cc1.
What is the InChIKey of 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol?
The InChIKey is JFOYZLMPPJIBIH-IVAFLUGOSA-N. The full InChI is InChI=1S/C17H17FO3S/c1-12-2-5-15(6-3-12)22(20)11-17(19)9-8-13-10-14(18)4-7-16(13)21-17/h2-7,10,19H,8-9,11H2,1H3/t17?,22-/m1/s1.
What are the key properties of 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol?
6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol has a molecular weight of 320.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 24865495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).