(E)-3-(4-methylphenyl)prop-2-enal

C10H10O — CID 5371802

IUPAC(E)-3-(4-methylphenyl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
InChIKeyDKOUYOVAEBQFHU-NSCUHMNNSA-N
MW146.19 g/mol
LogP2.21
Rot. Bonds2

About (E)-3-(4-methylphenyl)prop-2-enal

(E)-3-(4-methylphenyl)prop-2-enal (PubChem CID 5371802) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)prop-2-enal
PubChem CID5371802
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(E)-3-(4-methylphenyl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
InChIKeyDKOUYOVAEBQFHU-NSCUHMNNSA-N
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)prop-2-enal?
The IUPAC name of (E)-3-(4-methylphenyl)prop-2-enal (CID 5371802) is (E)-3-(4-methylphenyl)prop-2-enal.
What is the SMILES notation for (E)-3-(4-methylphenyl)prop-2-enal?
The canonical SMILES for (E)-3-(4-methylphenyl)prop-2-enal is Cc1ccc(/C=C/C=O)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)prop-2-enal?
The InChIKey is DKOUYOVAEBQFHU-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+.
What are the key properties of (E)-3-(4-methylphenyl)prop-2-enal?
(E)-3-(4-methylphenyl)prop-2-enal has a molecular weight of 146.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)prop-2-enal is sourced from PubChem (CID 5371802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).