7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde

C22H24O3 — CID 58438664

IUPAC7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde
SMILESCCCc1ccc(CCc2ccc3c(c2)OCC(C=O)=C3)c(OC)c1
InChIInChI=1S/C22H24O3/c1-3-4-16-5-8-19(21(12-16)24-2)9-6-17-7-10-20-11-18(14-23)15-25-22(20)13-17/h5,7-8,10-14H,3-4,6,9,15H2,1-2H3
InChIKeyJOPMCEFGKBZJBH-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.41
Rot. Bonds7

About 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde

7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde (PubChem CID 58438664) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde
PubChem CID58438664
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde
SMILESCCCc1ccc(CCc2ccc3c(c2)OCC(C=O)=C3)c(OC)c1
InChIInChI=1S/C22H24O3/c1-3-4-16-5-8-19(21(12-16)24-2)9-6-17-7-10-20-11-18(14-23)15-25-22(20)13-17/h5,7-8,10-14H,3-4,6,9,15H2,1-2H3
InChIKeyJOPMCEFGKBZJBH-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde?
The IUPAC name of 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde (CID 58438664) is 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde is CCCc1ccc(CCc2ccc3c(c2)OCC(C=O)=C3)c(OC)c1.
What is the InChIKey of 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde?
The InChIKey is JOPMCEFGKBZJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-3-4-16-5-8-19(21(12-16)24-2)9-6-17-7-10-20-11-18(14-23)15-25-22(20)13-17/h5,7-8,10-14H,3-4,6,9,15H2,1-2H3.
What are the key properties of 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde?
7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde has a molecular weight of 336.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxy-4-propylphenyl)ethyl]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58438664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).