4,9-dihydro-1H-xanthene

C13H12O — CID 15851343

IUPAC4,9-dihydro-1H-xanthene
SMILESC1=CCC2=C(C1)Cc1ccccc1O2
InChIInChI=1S/C13H12O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-5,7H,6,8-9H2
InChIKeyJQWBQDCYIGMYKF-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.23
Rot. Bonds

About 4,9-dihydro-1H-xanthene

4,9-dihydro-1H-xanthene (PubChem CID 15851343) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4,9-dihydro-1H-xanthene.

Molecular Properties

Compound Name4,9-dihydro-1H-xanthene
PubChem CID15851343
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name4,9-dihydro-1H-xanthene
SMILESC1=CCC2=C(C1)Cc1ccccc1O2
InChIInChI=1S/C13H12O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-5,7H,6,8-9H2
InChIKeyJQWBQDCYIGMYKF-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9H-xanthene
CID 7107
biphenylene;9H-xanthene
CID 69049558
4,9-dihydroxanthen-3-one
CID 57451334
anthracene;9H-xanthene
CID 141402821
sulfuric acid;9H-xanthene
CID 69337657
2,3-dibromo-4H-chromene
CID 18172585
ethane;4H-pyran;9H-xanthene
CID 159470126
11H-benzo[c][1]benzoxepin-6-one
CID 827435
(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
CID 15416999
1,2-dimethyl-9H-xanthene
CID 3016191
9H-xanthen-4-ol
CID 12554333
3H-1-benzofuran-2-one;phosphorous acid
CID 161350819

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydro-1H-xanthene?
The IUPAC name of 4,9-dihydro-1H-xanthene (CID 15851343) is 4,9-dihydro-1H-xanthene.
What is the SMILES notation for 4,9-dihydro-1H-xanthene?
The canonical SMILES for 4,9-dihydro-1H-xanthene is C1=CCC2=C(C1)Cc1ccccc1O2.
What is the InChIKey of 4,9-dihydro-1H-xanthene?
The InChIKey is JQWBQDCYIGMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-5,7H,6,8-9H2.
What are the key properties of 4,9-dihydro-1H-xanthene?
4,9-dihydro-1H-xanthene has a molecular weight of 184.24 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydro-1H-xanthene is sourced from PubChem (CID 15851343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).