[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone

C19H14O3 — CID 154134222

IUPAC[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
SMILESC#CCOc1ccc(C(=O)c2ccccc2)c(OCC#C)c1
InChIInChI=1S/C19H14O3/c1-3-12-21-16-10-11-17(18(14-16)22-13-4-2)19(20)15-8-6-5-7-9-15/h1-2,5-11,14H,12-13H2
InChIKeyOYMBNXKQRHWCQB-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.94
Rot. Bonds6

About [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone

[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone (PubChem CID 154134222) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
PubChem CID154134222
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
SMILESC#CCOc1ccc(C(=O)c2ccccc2)c(OCC#C)c1
InChIInChI=1S/C19H14O3/c1-3-12-21-16-10-11-17(18(14-16)22-13-4-2)19(20)15-8-6-5-7-9-15/h1-2,5-11,14H,12-13H2
InChIKeyOYMBNXKQRHWCQB-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
3-(4-prop-2-ynoxybenzoyl)benzoyl chloride
CID 170346190
4-hydroxy-2-prop-2-ynoxybenzoic acid
CID 156621026
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
(E)-1-(2-hydroxy-4-prop-2-ynoxyphenyl)-3-phenylprop-2-en-1-one
CID 118737996
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
2-ethoxycarbonyl-5-prop-2-ynoxybenzoic acid
CID 87472600
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone?
The IUPAC name of [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone (CID 154134222) is [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone is C#CCOc1ccc(C(=O)c2ccccc2)c(OCC#C)c1.
What is the InChIKey of [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone?
The InChIKey is OYMBNXKQRHWCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-3-12-21-16-10-11-17(18(14-16)22-13-4-2)19(20)15-8-6-5-7-9-15/h1-2,5-11,14H,12-13H2.
What are the key properties of [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone?
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone has a molecular weight of 290.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 154134222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).