5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol

C26H34O4 — CID 162075419

IUPAC5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
SMILESCC.CC.CO.CO.c1ccc2c(c1)Cc1ccc3c(c1O2)Oc1ccccc1C3
InChIInChI=1S/C20H14O2.2C2H6.2CH4O/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)22-20(16)19(15)21-17;4*1-2/h1-10H,11-12H2;2*1-2H3;2*2H,1H3
InChIKeyZBQHXPOHRXAZOL-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.35
Rot. Bonds

About 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol

5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol (PubChem CID 162075419) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol.

Molecular Properties

Compound Name5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
PubChem CID162075419
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
SMILESCC.CC.CO.CO.c1ccc2c(c1)Cc1ccc3c(c1O2)Oc1ccccc1C3
InChIInChI=1S/C20H14O2.2C2H6.2CH4O/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)22-20(16)19(15)21-17;4*1-2/h1-10H,11-12H2;2*1-2H3;2*2H,1H3
InChIKeyZBQHXPOHRXAZOL-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
9H-xanthen-4-ol
CID 12554333
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
9H-xanthene
CID 7107
9H-xanthene-3,4-diamine
CID 174775292
4-iodo-9H-xanthene
CID 11045034
biphenylene;9H-xanthene
CID 69049558
sulfuric acid;9H-xanthene
CID 69337657
ethane;4H-pyran;9H-xanthene
CID 159470126
anthracene;9H-xanthene
CID 141402821
3,4,8,14-tetrahydrochromeno[2,3-a]xanthene
CID 70993533
2,4-diiodo-9H-xanthen-3-ol
CID 91488087

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol?
The IUPAC name of 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol (CID 162075419) is 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol.
What is the SMILES notation for 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol?
The canonical SMILES for 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol is CC.CC.CO.CO.c1ccc2c(c1)Cc1ccc3c(c1O2)Oc1ccccc1C3.
What is the InChIKey of 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol?
The InChIKey is ZBQHXPOHRXAZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C2H6.2CH4O/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)22-20(16)19(15)21-17;4*1-2/h1-10H,11-12H2;2*1-2H3;2*2H,1H3.
What are the key properties of 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol?
5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol has a molecular weight of 410.55 g/mol, XLogP of 6.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol is sourced from PubChem (CID 162075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).