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

C22H20O2 — CID 20703979

IUPAC4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C2c3ccccc3OCC2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-18-13-11-17(12-14-18)22-19-9-5-6-10-21(19)24-15-20(22)16-7-3-2-4-8-16/h2-14,20,22H,15H2,1H3
InChIKeyHRFKNHWJRJNTDU-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.00
Rot. Bonds3

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

4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene (PubChem CID 20703979) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
PubChem CID20703979
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C2c3ccccc3OCC2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-23-18-13-11-17(12-14-18)22-19-9-5-6-10-21(19)24-15-20(22)16-7-3-2-4-8-16/h2-14,20,22H,15H2,1H3
InChIKeyHRFKNHWJRJNTDU-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 154305327
N-butyl-N-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 56975749
ethane;methanol;1-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 90800401
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
methanol;1-[3-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]propyl]azepane
CID 90958030
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
(3S,4R)-4-(4-hexylphenyl)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromene
CID 21310038
4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
CID 134170323
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
1-[2-[4-[(3R,4S)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]sulfanylethyl]pyrrolidine
CID 102510804
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 67558112

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene (CID 20703979) is 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene is COc1ccc(C2c3ccccc3OCC2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is HRFKNHWJRJNTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-23-18-13-11-17(12-14-18)22-19-9-5-6-10-21(19)24-15-20(22)16-7-3-2-4-8-16/h2-14,20,22H,15H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene?
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 316.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 20703979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).