6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol

C22H24O4 — CID 163780886

IUPAC6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol
SMILESCCOC1=CCC(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)C(O)=C1
InChIInChI=1S/C22H24O4/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20/h5-6,8-12,17,23H,4,7,13H2,1-3H3
InChIKeyMOMKEWOKAGNMHE-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.03
Rot. Bonds3

About 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol

6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol (PubChem CID 163780886) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol
PubChem CID163780886
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol
SMILESCCOC1=CCC(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)C(O)=C1
InChIInChI=1S/C22H24O4/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20/h5-6,8-12,17,23H,4,7,13H2,1-3H3
InChIKeyMOMKEWOKAGNMHE-UHFFFAOYSA-N
XLogP5.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol (CID 163780886) is 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol is CCOC1=CCC(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)C(O)=C1.
What is the InChIKey of 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol?
The InChIKey is MOMKEWOKAGNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20/h5-6,8-12,17,23H,4,7,13H2,1-3H3.
What are the key properties of 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol?
6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol has a molecular weight of 352.43 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-ethoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163780886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).