ethane;4H-pyran;9H-xanthene

C24H34O2 — CID 159470126

IUPACethane;4H-pyran;9H-xanthene
SMILESC1=COC=CC1.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.C5H6O.3C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-5-3-1;3*1-2/h1-8H,9H2;2-5H,1H2;3*1-2H3
InChIKeyLVRSGLGIOUPIFL-UHFFFAOYSA-N
MW354.53 g/mol
LogP7.90
Rot. Bonds

About ethane;4H-pyran;9H-xanthene

ethane;4H-pyran;9H-xanthene (PubChem CID 159470126) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is ethane;4H-pyran;9H-xanthene.

Molecular Properties

Compound Nameethane;4H-pyran;9H-xanthene
PubChem CID159470126
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Nameethane;4H-pyran;9H-xanthene
SMILESC1=COC=CC1.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.C5H6O.3C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-5-3-1;3*1-2/h1-8H,9H2;2-5H,1H2;3*1-2H3
InChIKeyLVRSGLGIOUPIFL-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-xanthene
CID 7107
biphenylene;9H-xanthene
CID 69049558
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
anthracene;9H-xanthene
CID 141402821
5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
CID 162075419
sulfuric acid;9H-xanthene
CID 69337657
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
2-tert-butyl-9H-xanthene
CID 20815655
13,13,14,14-tetramethyl-2-oxatetracyclo[8.6.0.03,8.012,15]hexadeca-1(16),3,5,7,10,12(15)-hexaene
CID 146512597
2,3-diethyl-9H-xanthene
CID 174888406
9H-xanthen-2-ol
CID 10219823
ethane;2-methylidene-1,3-benzodioxole;2-methylidene-3H-1-benzofuran
CID 159698745

Frequently Asked Questions

What is the IUPAC name of ethane;4H-pyran;9H-xanthene?
The IUPAC name of ethane;4H-pyran;9H-xanthene (CID 159470126) is ethane;4H-pyran;9H-xanthene.
What is the SMILES notation for ethane;4H-pyran;9H-xanthene?
The canonical SMILES for ethane;4H-pyran;9H-xanthene is C1=COC=CC1.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of ethane;4H-pyran;9H-xanthene?
The InChIKey is LVRSGLGIOUPIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H6O.3C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-5-3-1;3*1-2/h1-8H,9H2;2-5H,1H2;3*1-2H3.
What are the key properties of ethane;4H-pyran;9H-xanthene?
ethane;4H-pyran;9H-xanthene has a molecular weight of 354.53 g/mol, XLogP of 7.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4H-pyran;9H-xanthene is sourced from PubChem (CID 159470126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).