[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone

C19H18O3 — CID 139459884

IUPAC[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccc(C(=O)c2ccc(COCC)cc2)cc1
InChIInChI=1S/C19H18O3/c1-3-13-22-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)14-21-4-2/h1,5-12H,4,13-14H2,2H3
InChIKeyPIYSGFFSUVUUIF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.47
Rot. Bonds7

About [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone

[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone (PubChem CID 139459884) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone
PubChem CID139459884
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccc(C(=O)c2ccc(COCC)cc2)cc1
InChIInChI=1S/C19H18O3/c1-3-13-22-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)14-21-4-2/h1,5-12H,4,13-14H2,2H3
InChIKeyPIYSGFFSUVUUIF-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.47
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

(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
[4-(3-iodopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 88929462
[4-(3-bromopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 53312176
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
3-(4-prop-2-ynoxybenzoyl)benzoyl chloride
CID 170346190
1-(ethoxymethyl)-4-ethynylbenzene
CID 86643750
1-(4-prop-2-ynoxyphenyl)pentane-2,4-dione
CID 164936128
ethane;[4-(ethoxymethyl)phenoxy]methyl formate
CID 155685271
prop-2-ynyl 4-[(4-chlorophenyl)methoxy]benzoate
CID 13176547

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone?
The IUPAC name of [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone (CID 139459884) is [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone.
What is the SMILES notation for [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone?
The canonical SMILES for [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone is C#CCOc1ccc(C(=O)c2ccc(COCC)cc2)cc1.
What is the InChIKey of [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone?
The InChIKey is PIYSGFFSUVUUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-13-22-18-11-9-17(10-12-18)19(20)16-7-5-15(6-8-16)14-21-4-2/h1,5-12H,4,13-14H2,2H3.
What are the key properties of [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone?
[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone is sourced from PubChem (CID 139459884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).