4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde

C19H19NO3 — CID 131955110

IUPAC4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1C=O
InChIInChI=1S/C19H19NO3/c1-12(2)16-8-17(18(22)7-15(16)11-21)19(23)20-9-13-5-3-4-6-14(13)10-20/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeySVCSVCKMYMUSOV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.48
Rot. Bonds3

About 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde

4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde (PubChem CID 131955110) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde
PubChem CID131955110
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1C=O
InChIInChI=1S/C19H19NO3/c1-12(2)16-8-17(18(22)7-15(16)11-21)19(23)20-9-13-5-3-4-6-14(13)10-20/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeySVCSVCKMYMUSOV-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde?
The IUPAC name of 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde (CID 131955110) is 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1C=O.
What is the InChIKey of 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde?
The InChIKey is SVCSVCKMYMUSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12(2)16-8-17(18(22)7-15(16)11-21)19(23)20-9-13-5-3-4-6-14(13)10-20/h3-8,11-12,22H,9-10H2,1-2H3.
What are the key properties of 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde?
4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde has a molecular weight of 309.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzaldehyde is sourced from PubChem (CID 131955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).