2-phenanthren-9-yloxy-1-phenylethanone

C22H16O2 — CID 155105601

IUPAC2-phenanthren-9-yloxy-1-phenylethanone
SMILESO=C(COc1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(16-8-2-1-3-9-16)15-24-22-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)22/h1-14H,15H2
InChIKeyQSHZOCDNDULYLY-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.25
Rot. Bonds4

About 2-phenanthren-9-yloxy-1-phenylethanone

2-phenanthren-9-yloxy-1-phenylethanone (PubChem CID 155105601) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenanthren-9-yloxy-1-phenylethanone.

Molecular Properties

Compound Name2-phenanthren-9-yloxy-1-phenylethanone
PubChem CID155105601
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name2-phenanthren-9-yloxy-1-phenylethanone
SMILESO=C(COc1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(16-8-2-1-3-9-16)15-24-22-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)22/h1-14H,15H2
InChIKeyQSHZOCDNDULYLY-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(carboxymethoxy)phenanthren-3-yl]phenanthren-2-yl]oxyacetic acid
CID 176819800
phenacyl anthracene-9-carboxylate
CID 3297262
2-phenacyloxybenzoic acid
CID 23764826
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
2-[5-[10-(carboxymethoxy)phenanthren-4-yl]phenanthren-9-yl]oxyacetic acid
CID 176819824
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
(2S)-2-[[(2S)-2-[(2-phenanthren-9-yloxyacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 122366199
phenanthren-2-yl(phenyl)methanone
CID 131857195
2-phenacyloxybenzamide
CID 43218588
(2-phenacyloxyphenyl) acetate
CID 2303836

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yloxy-1-phenylethanone?
The IUPAC name of 2-phenanthren-9-yloxy-1-phenylethanone (CID 155105601) is 2-phenanthren-9-yloxy-1-phenylethanone.
What is the SMILES notation for 2-phenanthren-9-yloxy-1-phenylethanone?
The canonical SMILES for 2-phenanthren-9-yloxy-1-phenylethanone is O=C(COc1cc2ccccc2c2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenanthren-9-yloxy-1-phenylethanone?
The InChIKey is QSHZOCDNDULYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-21(16-8-2-1-3-9-16)15-24-22-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)22/h1-14H,15H2.
What are the key properties of 2-phenanthren-9-yloxy-1-phenylethanone?
2-phenanthren-9-yloxy-1-phenylethanone has a molecular weight of 312.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yloxy-1-phenylethanone is sourced from PubChem (CID 155105601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).