(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene

C22H20O2 — CID 138963774

IUPAC(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)24-22/h2-14,20,22H,15H2,1H3/t20-,22-/m1/s1
InChIKeyBBQLDXRXKWFIEA-IFMALSPDSA-N
MW316.40 g/mol
LogP5.16
Rot. Bonds3

About (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene

(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene (PubChem CID 138963774) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
PubChem CID138963774
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)24-22/h2-14,20,22H,15H2,1H3/t20-,22-/m1/s1
InChIKeyBBQLDXRXKWFIEA-IFMALSPDSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
CID 174419462
[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10756490
(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene
CID 129439266
(5S,6S)-2-tert-butyl-5-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 122380544
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71410185
2-phenyl-3,4-dihydro-2H-chromen-3-amine
CID 12822974
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 36671807

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene (CID 138963774) is (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene is COc1ccc([C@H]2Oc3ccccc3C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is BBQLDXRXKWFIEA-IFMALSPDSA-N. The full InChI is InChI=1S/C22H20O2/c1-23-19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)24-22/h2-14,20,22H,15H2,1H3/t20-,22-/m1/s1.
What are the key properties of (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 316.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 138963774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).