7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde

C18H18O3 — CID 86643105

IUPAC7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)c3c(c2OC)CCC3)cc1
InChIInChI=1S/C18H18O3/c1-20-14-8-6-12(7-9-14)17-10-13(11-19)15-4-3-5-16(15)18(17)21-2/h6-11H,3-5H2,1-2H3
InChIKeyYDAMUHMOURGHCG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.67
Rot. Bonds4

About 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde

7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde (PubChem CID 86643105) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde
PubChem CID86643105
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)c3c(c2OC)CCC3)cc1
InChIInChI=1S/C18H18O3/c1-20-14-8-6-12(7-9-14)17-10-13(11-19)15-4-3-5-16(15)18(17)21-2/h6-11H,3-5H2,1-2H3
InChIKeyYDAMUHMOURGHCG-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.67
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-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde?
The IUPAC name of 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde (CID 86643105) is 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde?
The canonical SMILES for 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde is COc1ccc(-c2cc(C=O)c3c(c2OC)CCC3)cc1.
What is the InChIKey of 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde?
The InChIKey is YDAMUHMOURGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-14-8-6-12(7-9-14)17-10-13(11-19)15-4-3-5-16(15)18(17)21-2/h6-11H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde?
7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 86643105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).