bis(2-prop-2-enoxyphenyl)methanone

C19H18O3 — CID 54013636

IUPACbis(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)c1ccccc1OCC=C
InChIInChI=1S/C19H18O3/c1-3-13-21-17-11-7-5-9-15(17)19(20)16-10-6-8-12-18(16)22-14-4-2/h3-12H,1-2,13-14H2
InChIKeyKUCAPIRKRUTFEJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.05
Rot. Bonds8

About bis(2-prop-2-enoxyphenyl)methanone

bis(2-prop-2-enoxyphenyl)methanone (PubChem CID 54013636) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is bis(2-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Namebis(2-prop-2-enoxyphenyl)methanone
PubChem CID54013636
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namebis(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)c1ccccc1OCC=C
InChIInChI=1S/C19H18O3/c1-3-13-21-17-11-7-5-9-15(17)19(20)16-10-6-8-12-18(16)22-14-4-2/h3-12H,1-2,13-14H2
InChIKeyKUCAPIRKRUTFEJ-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enoxyphenyl)methanone?
The IUPAC name of bis(2-prop-2-enoxyphenyl)methanone (CID 54013636) is bis(2-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for bis(2-prop-2-enoxyphenyl)methanone?
The canonical SMILES for bis(2-prop-2-enoxyphenyl)methanone is C=CCOc1ccccc1C(=O)c1ccccc1OCC=C.
What is the InChIKey of bis(2-prop-2-enoxyphenyl)methanone?
The InChIKey is KUCAPIRKRUTFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-13-21-17-11-7-5-9-15(17)19(20)16-10-6-8-12-18(16)22-14-4-2/h3-12H,1-2,13-14H2.
What are the key properties of bis(2-prop-2-enoxyphenyl)methanone?
bis(2-prop-2-enoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 54013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).