phenyl-(2-prop-2-ynoxyphenyl)methanone

C16H12O2 — CID 90928602

IUPACphenyl-(2-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12O2/c1-2-12-18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h1,3-11H,12H2
InChIKeyFALJUVPOHXOVMI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.93
Rot. Bonds4

About phenyl-(2-prop-2-ynoxyphenyl)methanone

phenyl-(2-prop-2-ynoxyphenyl)methanone (PubChem CID 90928602) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is phenyl-(2-prop-2-ynoxyphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2-prop-2-ynoxyphenyl)methanone
PubChem CID90928602
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Namephenyl-(2-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12O2/c1-2-12-18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h1,3-11H,12H2
InChIKeyFALJUVPOHXOVMI-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
(2-nitrophenyl)-phenylmethanone;3-prop-2-ynoxyprop-1-yne
CID 174938163
phenyl-[3-(2-prop-2-ynoxyphenyl)oxiran-2-yl]methanone
CID 101476497
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
phenyl-(2-silylphenyl)methanone
CID 137327642
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
CID 67804020
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-ynoxyphenyl)methanone?
The IUPAC name of phenyl-(2-prop-2-ynoxyphenyl)methanone (CID 90928602) is phenyl-(2-prop-2-ynoxyphenyl)methanone.
What is the SMILES notation for phenyl-(2-prop-2-ynoxyphenyl)methanone?
The canonical SMILES for phenyl-(2-prop-2-ynoxyphenyl)methanone is C#CCOc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(2-prop-2-ynoxyphenyl)methanone?
The InChIKey is FALJUVPOHXOVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-2-12-18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h1,3-11H,12H2.
What are the key properties of phenyl-(2-prop-2-ynoxyphenyl)methanone?
phenyl-(2-prop-2-ynoxyphenyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-ynoxyphenyl)methanone is sourced from PubChem (CID 90928602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).