(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene

C22H19FO2 — CID 141433831

IUPAC(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(F)c(-c2ccc([C@@H]3CCc4ccccc4O3)cc2)c1
InChIInChI=1S/C22H19FO2/c1-24-18-11-12-20(23)19(14-18)15-6-8-17(9-7-15)22-13-10-16-4-2-3-5-21(16)25-22/h2-9,11-12,14,22H,10,13H2,1H3/t22-/m0/s1
InChIKeyWCESAKNLHVRYRP-QFIPXVFZSA-N
MW334.39 g/mol
LogP5.57
Rot. Bonds3

About (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene

(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 141433831) has the molecular formula C22H19FO2 and a molecular weight of 334.39 g/mol. Its IUPAC name is (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene
PubChem CID141433831
Molecular FormulaC22H19FO2
Molecular Weight334.39 g/mol
Exact Mass334.14
IUPAC Name(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(F)c(-c2ccc([C@@H]3CCc4ccccc4O3)cc2)c1
InChIInChI=1S/C22H19FO2/c1-24-18-11-12-20(23)19(14-18)15-6-8-17(9-7-15)22-13-10-16-4-2-3-5-21(16)25-22/h2-9,11-12,14,22H,10,13H2,1H3/t22-/m0/s1
InChIKeyWCESAKNLHVRYRP-QFIPXVFZSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene (CID 141433831) is (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene is COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccccc4O3)cc2)c1.
What is the InChIKey of (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is WCESAKNLHVRYRP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19FO2/c1-24-18-11-12-20(23)19(14-18)15-6-8-17(9-7-15)22-13-10-16-4-2-3-5-21(16)25-22/h2-9,11-12,14,22H,10,13H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene?
(2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 334.39 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 141433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).