2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one

C19H15FO3 — CID 7325092

IUPAC2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1[C@@H]1c2ccccc2Oc2ccc(F)cc21
InChIInChI=1S/C19H15FO3/c20-11-8-9-17-13(10-11)18(12-4-1-2-7-16(12)23-17)19-14(21)5-3-6-15(19)22/h1-2,4,7-10,18,21H,3,5-6H2/t18-/m1/s1
InChIKeyBUVOKAWVSKIZFV-GOSISDBHSA-N
MW310.32 g/mol
LogP4.63
Rot. Bonds1

About 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one

2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one (PubChem CID 7325092) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one
PubChem CID7325092
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1[C@@H]1c2ccccc2Oc2ccc(F)cc21
InChIInChI=1S/C19H15FO3/c20-11-8-9-17-13(10-11)18(12-4-1-2-7-16(12)23-17)19-14(21)5-3-6-15(19)22/h1-2,4,7-10,18,21H,3,5-6H2/t18-/m1/s1
InChIKeyBUVOKAWVSKIZFV-GOSISDBHSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one (CID 7325092) is 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one is O=C1CCCC(O)=C1[C@@H]1c2ccccc2Oc2ccc(F)cc21.
What is the InChIKey of 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one?
The InChIKey is BUVOKAWVSKIZFV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15FO3/c20-11-8-9-17-13(10-11)18(12-4-1-2-7-16(12)23-17)19-14(21)5-3-6-15(19)22/h1-2,4,7-10,18,21H,3,5-6H2/t18-/m1/s1.
What are the key properties of 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one?
2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one has a molecular weight of 310.32 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-2-fluoro-9H-xanthen-9-yl]-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 7325092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).