3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C18H20O5 — CID 14394138

IUPAC3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(OC)c(C2COc3cc(O)ccc3C2)cc1OC
InChIInChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3
InChIKeyRXXVCVOYIGXBFH-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.14
Rot. Bonds4

About 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 14394138) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID14394138
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(OC)c(C2COc3cc(O)ccc3C2)cc1OC
InChIInChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3
InChIKeyRXXVCVOYIGXBFH-UHFFFAOYSA-N
XLogP3.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 14394138) is 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cc(OC)c(C2COc3cc(O)ccc3C2)cc1OC.
What is the InChIKey of 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RXXVCVOYIGXBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 316.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 14394138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).