4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol

C28H24O3 — CID 18355593

IUPAC4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESOc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C28H24O3/c29-23-13-11-22(12-14-23)28-25-16-15-24(30-18-20-7-3-1-4-8-20)17-27(25)31-19-26(28)21-9-5-2-6-10-21/h1-17,26,28-29H,18-19H2
InChIKeySZOBQCMPESZABN-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.28
Rot. Bonds5

About 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol

4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol (PubChem CID 18355593) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
PubChem CID18355593
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESOc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C28H24O3/c29-23-13-11-22(12-14-23)28-25-16-15-24(30-18-20-7-3-1-4-8-20)17-27(25)31-19-26(28)21-9-5-2-6-10-21/h1-17,26,28-29H,18-19H2
InChIKeySZOBQCMPESZABN-UHFFFAOYSA-N
XLogP6.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-chlorobutoxy)phenyl]-3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 18355547
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
N-butyl-N-[2-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 18800928
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 19603860
methyl 2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]acetate
CID 67595470
methyl 2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]acetate
CID 54235827
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol?
The IUPAC name of 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol (CID 18355593) is 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol?
The canonical SMILES for 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol is Oc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol?
The InChIKey is SZOBQCMPESZABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c29-23-13-11-22(12-14-23)28-25-16-15-24(30-18-20-7-3-1-4-8-20)17-27(25)31-19-26(28)21-9-5-2-6-10-21/h1-17,26,28-29H,18-19H2.
What are the key properties of 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol?
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol has a molecular weight of 408.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol is sourced from PubChem (CID 18355593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).