2-methyl-7-phenylxanthen-9-one

C20H14O2 — CID 123326805

IUPAC2-methyl-7-phenylxanthen-9-one
SMILESCc1ccc2oc3ccc(-c4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C20H14O2/c1-13-7-9-18-16(11-13)20(21)17-12-15(8-10-19(17)22-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyAYSRHWSXRFGNPV-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.92
Rot. Bonds1

About 2-methyl-7-phenylxanthen-9-one

2-methyl-7-phenylxanthen-9-one (PubChem CID 123326805) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-7-phenylxanthen-9-one.

Molecular Properties

Compound Name2-methyl-7-phenylxanthen-9-one
PubChem CID123326805
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-methyl-7-phenylxanthen-9-one
SMILESCc1ccc2oc3ccc(-c4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C20H14O2/c1-13-7-9-18-16(11-13)20(21)17-12-15(8-10-19(17)22-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyAYSRHWSXRFGNPV-UHFFFAOYSA-N
XLogP4.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.92
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

2-methylxanthen-9-one;xanthen-9-one
CID 70546954
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
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2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440758
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CID 71384416
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
2,7-dinaphthalen-2-ylxanthen-9-one
CID 89408633
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
CID 164686322
2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130440010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylxanthen-9-one?
The IUPAC name of 2-methyl-7-phenylxanthen-9-one (CID 123326805) is 2-methyl-7-phenylxanthen-9-one.
What is the SMILES notation for 2-methyl-7-phenylxanthen-9-one?
The canonical SMILES for 2-methyl-7-phenylxanthen-9-one is Cc1ccc2oc3ccc(-c4ccccc4)cc3c(=O)c2c1.
What is the InChIKey of 2-methyl-7-phenylxanthen-9-one?
The InChIKey is AYSRHWSXRFGNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-13-7-9-18-16(11-13)20(21)17-12-15(8-10-19(17)22-18)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-methyl-7-phenylxanthen-9-one?
2-methyl-7-phenylxanthen-9-one has a molecular weight of 286.33 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylxanthen-9-one is sourced from PubChem (CID 123326805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).