(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol

C15H13FO4S — CID 171048888

IUPAC(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol
SMILESCS(=O)(=O)c1ccc2c(c1)COc1cc(CO)c(F)cc1-2
InChIInChI=1S/C15H13FO4S/c1-21(18,19)11-2-3-12-10(4-11)8-20-15-5-9(7-17)14(16)6-13(12)15/h2-6,17H,7-8H2,1H3
InChIKeyNFHJLYJVLFXJGD-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.28
Rot. Bonds2

About (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol

(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol (PubChem CID 171048888) has the molecular formula C15H13FO4S and a molecular weight of 308.33 g/mol. Its IUPAC name is (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol
PubChem CID171048888
Molecular FormulaC15H13FO4S
Molecular Weight308.33 g/mol
Exact Mass308.05
IUPAC Name(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol
SMILESCS(=O)(=O)c1ccc2c(c1)COc1cc(CO)c(F)cc1-2
InChIInChI=1S/C15H13FO4S/c1-21(18,19)11-2-3-12-10(4-11)8-20-15-5-9(7-17)14(16)6-13(12)15/h2-6,17H,7-8H2,1H3
InChIKeyNFHJLYJVLFXJGD-UHFFFAOYSA-N
XLogP2.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol?
The IUPAC name of (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol (CID 171048888) is (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol.
What is the SMILES notation for (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol?
The canonical SMILES for (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol is CS(=O)(=O)c1ccc2c(c1)COc1cc(CO)c(F)cc1-2.
What is the InChIKey of (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol?
The InChIKey is NFHJLYJVLFXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4S/c1-21(18,19)11-2-3-12-10(4-11)8-20-15-5-9(7-17)14(16)6-13(12)15/h2-6,17H,7-8H2,1H3.
What are the key properties of (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol?
(2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol has a molecular weight of 308.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-8-methylsulfonyl-6H-benzo[c]chromen-3-yl)methanol is sourced from PubChem (CID 171048888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).