6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane

C22H28O4 — CID 170746253

IUPAC6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane
SMILESCC.CC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21
InChIInChI=1S/C20H22O4.C2H6/c1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-2/h3-6,11-12,14,21H,7-10H2,1-2H3;1-2H3
InChIKeyAEFJZQVEPFBBHU-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.27
Rot. Bonds2

About 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane

6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane (PubChem CID 170746253) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane.

Molecular Properties

Compound Name6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane
PubChem CID170746253
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane
SMILESCC.CC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21
InChIInChI=1S/C20H22O4.C2H6/c1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-2/h3-6,11-12,14,21H,7-10H2,1-2H3;1-2H3
InChIKeyAEFJZQVEPFBBHU-UHFFFAOYSA-N
XLogP5.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane?
The IUPAC name of 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane (CID 170746253) is 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane.
What is the SMILES notation for 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane?
The canonical SMILES for 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane is CC.CC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21.
What is the InChIKey of 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane?
The InChIKey is AEFJZQVEPFBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4.C2H6/c1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-2/h3-6,11-12,14,21H,7-10H2,1-2H3;1-2H3.
What are the key properties of 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane?
6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane has a molecular weight of 356.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;ethane is sourced from PubChem (CID 170746253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).