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

C18H20O5 — CID 54100766

IUPAC3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1OC
InChIInChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3
InChIKeyNAIULWLSYSLHJW-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.14
Rot. Bonds4

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

3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 54100766) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID54100766
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1OC
InChIInChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3
InChIKeyNAIULWLSYSLHJW-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-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 54100766) is 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1OC.
What is the InChIKey of 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is NAIULWLSYSLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3.
What are the key properties of 3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(2,3,4-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-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 54100766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).