(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

C22H20O3 — CID 132544352

IUPAC(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1COc2cc(OCc3ccccc3)ccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H20O3/c23-20-15-25-21-13-18(24-14-16-7-3-1-4-8-16)11-12-19(21)22(20)17-9-5-2-6-10-17/h1-13,20,22-23H,14-15H2/t20-,22-/m0/s1
InChIKeyQVDSYFLLIDZYTQ-UNMCSNQZSA-N
MW332.40 g/mol
LogP4.15
Rot. Bonds4

About (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 132544352) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID132544352
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1COc2cc(OCc3ccccc3)ccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H20O3/c23-20-15-25-21-13-18(24-14-16-7-3-1-4-8-16)11-12-19(21)22(20)17-9-5-2-6-10-17/h1-13,20,22-23H,14-15H2/t20-,22-/m0/s1
InChIKeyQVDSYFLLIDZYTQ-UNMCSNQZSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol with MolForge

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Related Compounds

4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
4-[4-(4-chlorobutoxy)phenyl]-3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 18355547
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975
N-butyl-N-[2-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 18800928
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 102066251
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
(3R,4S)-7-methoxy-3-phenyl-4-(4-phenylmethoxyphenyl)-3,4-dihydrochromen-2-one
CID 134938886
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (CID 132544352) is (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is O[C@H]1COc2cc(OCc3ccccc3)ccc2[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is QVDSYFLLIDZYTQ-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H20O3/c23-20-15-25-21-13-18(24-14-16-7-3-1-4-8-16)11-12-19(21)22(20)17-9-5-2-6-10-17/h1-13,20,22-23H,14-15H2/t20-,22-/m0/s1.
What are the key properties of (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 332.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 132544352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).