3,3-bis(2-methoxyphenyl)prop-2-enal

C17H16O3 — CID 14347228

IUPAC3,3-bis(2-methoxyphenyl)prop-2-enal
SMILESCOc1ccccc1C(=CC=O)c1ccccc1OC
InChIInChI=1S/C17H16O3/c1-19-16-9-5-3-7-14(16)13(11-12-18)15-8-4-6-10-17(15)20-2/h3-12H,1-2H3
InChIKeyKJVZDITXUUGVJJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds5

About 3,3-bis(2-methoxyphenyl)prop-2-enal

3,3-bis(2-methoxyphenyl)prop-2-enal (PubChem CID 14347228) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3,3-bis(2-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name3,3-bis(2-methoxyphenyl)prop-2-enal
PubChem CID14347228
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3,3-bis(2-methoxyphenyl)prop-2-enal
SMILESCOc1ccccc1C(=CC=O)c1ccccc1OC
InChIInChI=1S/C17H16O3/c1-19-16-9-5-3-7-14(16)13(11-12-18)15-8-4-6-10-17(15)20-2/h3-12H,1-2H3
InChIKeyKJVZDITXUUGVJJ-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 15664665
(Z)-3-[4-(bromomethyl)-2-methoxyphenyl]-3-phenylprop-2-enal
CID 143730937
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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-methoxyphenyl)prop-2-enal?
The IUPAC name of 3,3-bis(2-methoxyphenyl)prop-2-enal (CID 14347228) is 3,3-bis(2-methoxyphenyl)prop-2-enal.
What is the SMILES notation for 3,3-bis(2-methoxyphenyl)prop-2-enal?
The canonical SMILES for 3,3-bis(2-methoxyphenyl)prop-2-enal is COc1ccccc1C(=CC=O)c1ccccc1OC.
What is the InChIKey of 3,3-bis(2-methoxyphenyl)prop-2-enal?
The InChIKey is KJVZDITXUUGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-9-5-3-7-14(16)13(11-12-18)15-8-4-6-10-17(15)20-2/h3-12H,1-2H3.
What are the key properties of 3,3-bis(2-methoxyphenyl)prop-2-enal?
3,3-bis(2-methoxyphenyl)prop-2-enal has a molecular weight of 268.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 14347228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).