2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde

C22H24N4O3 — CID 87963977

IUPAC2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde
SMILESCc1c(OCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C=O)C2CCCC2)c1O
InChIInChI=1S/C22H24N4O3/c1-14-20(11-10-18(21(14)28)19(12-27)16-4-2-3-5-16)29-13-15-6-8-17(9-7-15)22-23-25-26-24-22/h6-12,16,19,28H,2-5,13H2,1H3,(H,23,24,25,26)
InChIKeyARYUSVQPDLRCMT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.93
Rot. Bonds7

About 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde

2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde (PubChem CID 87963977) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde
PubChem CID87963977
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde
SMILESCc1c(OCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C=O)C2CCCC2)c1O
InChIInChI=1S/C22H24N4O3/c1-14-20(11-10-18(21(14)28)19(12-27)16-4-2-3-5-16)29-13-15-6-8-17(9-7-15)22-23-25-26-24-22/h6-12,16,19,28H,2-5,13H2,1H3,(H,23,24,25,26)
InChIKeyARYUSVQPDLRCMT-UHFFFAOYSA-N
XLogP3.93
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde?
The IUPAC name of 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde (CID 87963977) is 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde is Cc1c(OCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C=O)C2CCCC2)c1O.
What is the InChIKey of 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde?
The InChIKey is ARYUSVQPDLRCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-20(11-10-18(21(14)28)19(12-27)16-4-2-3-5-16)29-13-15-6-8-17(9-7-15)22-23-25-26-24-22/h6-12,16,19,28H,2-5,13H2,1H3,(H,23,24,25,26).
What are the key properties of 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde?
2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde has a molecular weight of 392.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-hydroxy-3-methyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]acetaldehyde is sourced from PubChem (CID 87963977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).