2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde

C18H13ClO2S — CID 174496175

IUPAC2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(OCc3ccccc3)cs2)cc1Cl
InChIInChI=1S/C18H13ClO2S/c19-17-8-14(6-7-15(17)10-20)18-9-16(12-22-18)21-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyPQCPMWYLMGWTFH-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde

2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde (PubChem CID 174496175) has the molecular formula C18H13ClO2S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde
PubChem CID174496175
Molecular FormulaC18H13ClO2S
Molecular Weight328.82 g/mol
Exact Mass328.03
IUPAC Name2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(OCc3ccccc3)cs2)cc1Cl
InChIInChI=1S/C18H13ClO2S/c19-17-8-14(6-7-15(17)10-20)18-9-16(12-22-18)21-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyPQCPMWYLMGWTFH-UHFFFAOYSA-N
XLogP5.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
7-(4-phenylmethoxythiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
CID 174612461
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 89247019
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde?
The IUPAC name of 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde (CID 174496175) is 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde is O=Cc1ccc(-c2cc(OCc3ccccc3)cs2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde?
The InChIKey is PQCPMWYLMGWTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2S/c19-17-8-14(6-7-15(17)10-20)18-9-16(12-22-18)21-11-13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde?
2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde has a molecular weight of 328.82 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-phenylmethoxythiophen-2-yl)benzaldehyde is sourced from PubChem (CID 174496175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).