(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

C23H22O4 — CID 132544355

IUPAC(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc2c(cc1OCc1ccccc1)[C@H](c1ccccc1)[C@@H](O)CO2
InChIInChI=1S/C23H22O4/c1-25-21-13-20-18(12-22(21)26-14-16-8-4-2-5-9-16)23(19(24)15-27-20)17-10-6-3-7-11-17/h2-13,19,23-24H,14-15H2,1H3/t19-,23-/m0/s1
InChIKeyOUMIXWIRSAJODX-CVDCTZTESA-N
MW362.43 g/mol
LogP4.16
Rot. Bonds5

About (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 132544355) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID132544355
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc2c(cc1OCc1ccccc1)[C@H](c1ccccc1)[C@@H](O)CO2
InChIInChI=1S/C23H22O4/c1-25-21-13-20-18(12-22(21)26-14-16-8-4-2-5-9-16)23(19(24)15-27-20)17-10-6-3-7-11-17/h2-13,19,23-24H,14-15H2,1H3/t19-,23-/m0/s1
InChIKeyOUMIXWIRSAJODX-CVDCTZTESA-N
XLogP4.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
(4bS,5S,9bS,10S)-2,3,7,8-tetramethoxy-5,10-bis(4-phenylmethoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene
CID 102036173
(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
CID 177415450
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
6-methoxy-7-phenylmethoxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-14,21-dione
CID 171342927
1-(1,3-benzodioxol-5-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5227811
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975
(4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 163648230
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 139985414
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
4-[4-(4-chlorobutoxy)phenyl]-3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 18355547

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (CID 132544355) is (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is COc1cc2c(cc1OCc1ccccc1)[C@H](c1ccccc1)[C@@H](O)CO2.
What is the InChIKey of (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is OUMIXWIRSAJODX-CVDCTZTESA-N. The full InChI is InChI=1S/C23H22O4/c1-25-21-13-20-18(12-22(21)26-14-16-8-4-2-5-9-16)23(19(24)15-27-20)17-10-6-3-7-11-17/h2-13,19,23-24H,14-15H2,1H3/t19-,23-/m0/s1.
What are the key properties of (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 362.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 132544355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).