7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol

C25H28O5 — CID 122444905

IUPAC7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3)C3=CCC(O)(OC)C(C)=C3O2)cc1
InChIInChI=1S/C25H28O5/c1-16-24-21(13-14-25(16,26)29-4)22(17-5-9-19(27-2)10-6-17)15-23(30-24)18-7-11-20(28-3)12-8-18/h5-13,22-23,26H,14-15H2,1-4H3
InChIKeyVEGDHUJDJCRPOO-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.89
Rot. Bonds5

About 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol

7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol (PubChem CID 122444905) has the molecular formula C25H28O5 and a molecular weight of 408.49 g/mol. Its IUPAC name is 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol.

Molecular Properties

Compound Name7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol
PubChem CID122444905
Molecular FormulaC25H28O5
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3)C3=CCC(O)(OC)C(C)=C3O2)cc1
InChIInChI=1S/C25H28O5/c1-16-24-21(13-14-25(16,26)29-4)22(17-5-9-19(27-2)10-6-17)15-23(30-24)18-7-11-20(28-3)12-8-18/h5-13,22-23,26H,14-15H2,1-4H3
InChIKeyVEGDHUJDJCRPOO-UHFFFAOYSA-N
XLogP4.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
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(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
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(5S,7R)-7-(4-methoxyphenyl)-1,3-dimethyl-5-(4-nitrophenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 101117534
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CID 104946403
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CID 23250319
(5S)-5-(4-methoxyphenyl)oxolan-2-one
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2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene
CID 151506862
(3S,5R)-3-(2-hydroxypropan-2-yl)-5-(4-methoxyphenyl)-1,2-oxazolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol?
The IUPAC name of 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol (CID 122444905) is 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol.
What is the SMILES notation for 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol?
The canonical SMILES for 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol is COc1ccc(C2CC(c3ccc(OC)cc3)C3=CCC(O)(OC)C(C)=C3O2)cc1.
What is the InChIKey of 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol?
The InChIKey is VEGDHUJDJCRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O5/c1-16-24-21(13-14-25(16,26)29-4)22(17-5-9-19(27-2)10-6-17)15-23(30-24)18-7-11-20(28-3)12-8-18/h5-13,22-23,26H,14-15H2,1-4H3.
What are the key properties of 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol?
7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol has a molecular weight of 408.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,4-bis(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydrochromen-7-ol is sourced from PubChem (CID 122444905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).