3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde

C18H18O2 — CID 123674719

IUPAC3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
SMILESCCc1cc(C)cc(C=Cc2cc(O)cc(C=O)c2)c1
InChIInChI=1S/C18H18O2/c1-3-14-6-13(2)7-15(8-14)4-5-16-9-17(12-19)11-18(20)10-16/h4-12,20H,3H2,1-2H3
InChIKeyCEYIOEJYOITXAP-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.25
Rot. Bonds4

About 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde

3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde (PubChem CID 123674719) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
PubChem CID123674719
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
SMILESCCc1cc(C)cc(C=Cc2cc(O)cc(C=O)c2)c1
InChIInChI=1S/C18H18O2/c1-3-14-6-13(2)7-15(8-14)4-5-16-9-17(12-19)11-18(20)10-16/h4-12,20H,3H2,1-2H3
InChIKeyCEYIOEJYOITXAP-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde?
The IUPAC name of 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde (CID 123674719) is 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde.
What is the SMILES notation for 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde?
The canonical SMILES for 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde is CCc1cc(C)cc(C=Cc2cc(O)cc(C=O)c2)c1.
What is the InChIKey of 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde?
The InChIKey is CEYIOEJYOITXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-14-6-13(2)7-15(8-14)4-5-16-9-17(12-19)11-18(20)10-16/h4-12,20H,3H2,1-2H3.
What are the key properties of 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde?
3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde is sourced from PubChem (CID 123674719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).