4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde

C18H14O2S — CID 172650288

IUPAC4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)c(-c2ccsc2)c1
InChIInChI=1S/C18H14O2S/c19-11-15-6-7-18(17(10-15)16-8-9-21-13-16)20-12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyCDFPYPGKFBDWBQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.81
Rot. Bonds5

About 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde

4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde (PubChem CID 172650288) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde.

Molecular Properties

Compound Name4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
PubChem CID172650288
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)c(-c2ccsc2)c1
InChIInChI=1S/C18H14O2S/c19-11-15-6-7-18(17(10-15)16-8-9-21-13-16)20-12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyCDFPYPGKFBDWBQ-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde 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

3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
3-(2-phenylmethoxyphenyl)-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 165416818
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 166639003
(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
CID 172650511
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde?
The IUPAC name of 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde (CID 172650288) is 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde.
What is the SMILES notation for 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde?
The canonical SMILES for 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde is O=Cc1ccc(OCc2ccccc2)c(-c2ccsc2)c1.
What is the InChIKey of 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde?
The InChIKey is CDFPYPGKFBDWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-11-15-6-7-18(17(10-15)16-8-9-21-13-16)20-12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde?
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde has a molecular weight of 294.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde is sourced from PubChem (CID 172650288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).