4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde

C17H14O3 — CID 150176729

IUPAC4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
SMILESCOc1ccc(C=CC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14O3/c1-20-16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-12H,1H3
InChIKeyFKOPDPRVRYBOAN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.40
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde

4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde (PubChem CID 150176729) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
PubChem CID150176729
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
SMILESCOc1ccc(C=CC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14O3/c1-20-16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-12H,1H3
InChIKeyFKOPDPRVRYBOAN-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.40
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

methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
(E)-1-(4-methoxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
CID 6000631
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
(E)-3-(4-methoxyphenyl)-1-pyridin-1-ium-4-ylprop-2-en-1-one;chloride;hydrate
CID 139199692
2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 7808888
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde?
The IUPAC name of 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde (CID 150176729) is 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde?
The canonical SMILES for 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde is COc1ccc(C=CC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde?
The InChIKey is FKOPDPRVRYBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-20-16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-12H,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde?
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde is sourced from PubChem (CID 150176729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).