7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol

C17H18O4 — CID 42604484

IUPAC7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
SMILESCOc1ccc(C2COc3c(ccc(OC)c3O)C2)cc1
InChIInChI=1S/C17H18O4/c1-19-14-6-3-11(4-7-14)13-9-12-5-8-15(20-2)16(18)17(12)21-10-13/h3-8,13,18H,9-10H2,1-2H3
InChIKeyZJEWMRGPQYEORC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol

7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol (PubChem CID 42604484) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
PubChem CID42604484
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
SMILESCOc1ccc(C2COc3c(ccc(OC)c3O)C2)cc1
InChIInChI=1S/C17H18O4/c1-19-14-6-3-11(4-7-14)13-9-12-5-8-15(20-2)16(18)17(12)21-10-13/h3-8,13,18H,9-10H2,1-2H3
InChIKeyZJEWMRGPQYEORC-UHFFFAOYSA-N
XLogP3.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol (CID 42604484) is 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol is COc1ccc(C2COc3c(ccc(OC)c3O)C2)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is ZJEWMRGPQYEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-6-3-11(4-7-14)13-9-12-5-8-15(20-2)16(18)17(12)21-10-13/h3-8,13,18H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol?
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 286.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 42604484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).