4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde

C17H16O2 — CID 131887316

IUPAC4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C17H16O2/c18-11-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-14-1-2-14/h3-11,14H,1-2,12H2
InChIKeyGFJHRBBGNBYNEH-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.95
Rot. Bonds5

About 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde

4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde (PubChem CID 131887316) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
PubChem CID131887316
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C17H16O2/c18-11-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-14-1-2-14/h3-11,14H,1-2,12H2
InChIKeyGFJHRBBGNBYNEH-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
CID 79793773
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
CID 102230361
cyclopropylmethyl 4-formylbenzenecarboperoxoate
CID 174758353
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
cyclopropylmethoxybenzene
CID 12712156
4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
CID 54189358

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde (CID 131887316) is 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde?
The InChIKey is GFJHRBBGNBYNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-11-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-14-1-2-14/h3-11,14H,1-2,12H2.
What are the key properties of 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde?
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 131887316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).