2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid

C22H22FNO3 — CID 18770941

IUPAC2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
SMILESCc1ccc(C2=CC3(CCN(CC(=O)O)CC3)Oc3cc(F)ccc32)cc1
InChIInChI=1S/C22H22FNO3/c1-15-2-4-16(5-3-15)19-13-22(8-10-24(11-9-22)14-21(25)26)27-20-12-17(23)6-7-18(19)20/h2-7,12-13H,8-11,14H2,1H3,(H,25,26)
InChIKeySXETYZVCZDNXAQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.88
Rot. Bonds3

About 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid

2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid (PubChem CID 18770941) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
PubChem CID18770941
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
SMILESCc1ccc(C2=CC3(CCN(CC(=O)O)CC3)Oc3cc(F)ccc32)cc1
InChIInChI=1S/C22H22FNO3/c1-15-2-4-16(5-3-15)19-13-22(8-10-24(11-9-22)14-21(25)26)27-20-12-17(23)6-7-18(19)20/h2-7,12-13H,8-11,14H2,1H3,(H,25,26)
InChIKeySXETYZVCZDNXAQ-UHFFFAOYSA-N
XLogP3.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid (CID 18770941) is 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid is Cc1ccc(C2=CC3(CCN(CC(=O)O)CC3)Oc3cc(F)ccc32)cc1.
What is the InChIKey of 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The InChIKey is SXETYZVCZDNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-15-2-4-16(5-3-15)19-13-22(8-10-24(11-9-22)14-21(25)26)27-20-12-17(23)6-7-18(19)20/h2-7,12-13H,8-11,14H2,1H3,(H,25,26).
What are the key properties of 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid has a molecular weight of 367.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 18770941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).