[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone

C19H18O3 — CID 22935826

IUPAC[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
SMILESC=C(C)Oc1ccc(C(=O)c2ccccc2)c(OC(=C)C)c1
InChIInChI=1S/C19H18O3/c1-13(2)21-16-10-11-17(18(12-16)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-12H,1,3H2,2,4H3
InChIKeyXJURXAXWJFIYLB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.74
Rot. Bonds6

About [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone

[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone (PubChem CID 22935826) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
PubChem CID22935826
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
SMILESC=C(C)Oc1ccc(C(=O)c2ccccc2)c(OC(=C)C)c1
InChIInChI=1S/C19H18O3/c1-13(2)21-16-10-11-17(18(12-16)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-12H,1,3H2,2,4H3
InChIKeyXJURXAXWJFIYLB-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
CID 144654455
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone?
The IUPAC name of [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone (CID 22935826) is [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone?
The canonical SMILES for [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone is C=C(C)Oc1ccc(C(=O)c2ccccc2)c(OC(=C)C)c1.
What is the InChIKey of [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone?
The InChIKey is XJURXAXWJFIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-13(2)21-16-10-11-17(18(12-16)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-12H,1,3H2,2,4H3.
What are the key properties of [2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone?
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone has a molecular weight of 294.35 g/mol, XLogP of 4.74, 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-1-en-2-yloxy)phenyl]-phenylmethanone is sourced from PubChem (CID 22935826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).