1-(4-chlorophenyl)xanthen-9-one

C19H11ClO2 — CID 168812432

IUPAC1-(4-chlorophenyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H11ClO2/c20-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(21)15-4-1-2-6-16(15)22-17/h1-11H
InChIKeyULCSHANRQJAFLN-UHFFFAOYSA-N
MW306.75 g/mol
LogP5.27
Rot. Bonds1

About 1-(4-chlorophenyl)xanthen-9-one

1-(4-chlorophenyl)xanthen-9-one (PubChem CID 168812432) has the molecular formula C19H11ClO2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)xanthen-9-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)xanthen-9-one
PubChem CID168812432
Molecular FormulaC19H11ClO2
Molecular Weight306.75 g/mol
Exact Mass306.04
IUPAC Name1-(4-chlorophenyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H11ClO2/c20-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(21)15-4-1-2-6-16(15)22-17/h1-11H
InChIKeyULCSHANRQJAFLN-UHFFFAOYSA-N
XLogP5.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.75
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
CID 167537928
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
1-(2H-tetrazol-5-yl)xanthen-9-one
CID 154341759
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
1-propan-2-ylsulfanylxanthen-9-one
CID 67242619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)xanthen-9-one?
The IUPAC name of 1-(4-chlorophenyl)xanthen-9-one (CID 168812432) is 1-(4-chlorophenyl)xanthen-9-one.
What is the SMILES notation for 1-(4-chlorophenyl)xanthen-9-one?
The canonical SMILES for 1-(4-chlorophenyl)xanthen-9-one is O=c1c2ccccc2oc2cccc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 1-(4-chlorophenyl)xanthen-9-one?
The InChIKey is ULCSHANRQJAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClO2/c20-13-10-8-12(9-11-13)14-5-3-7-17-18(14)19(21)15-4-1-2-6-16(15)22-17/h1-11H.
What are the key properties of 1-(4-chlorophenyl)xanthen-9-one?
1-(4-chlorophenyl)xanthen-9-one has a molecular weight of 306.75 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)xanthen-9-one is sourced from PubChem (CID 168812432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).