3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde

C13H11ClO3S — CID 43646171

IUPAC3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1ccsc1
InChIInChI=1S/C13H11ClO3S/c1-16-12-5-10(6-15)4-11(14)13(12)17-7-9-2-3-18-8-9/h2-6,8H,7H2,1H3
InChIKeyMPKXCZIQBYXQBA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.80
Rot. Bonds5

About 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde

3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde (PubChem CID 43646171) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
PubChem CID43646171
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1ccsc1
InChIInChI=1S/C13H11ClO3S/c1-16-12-5-10(6-15)4-11(14)13(12)17-7-9-2-3-18-8-9/h2-6,8H,7H2,1H3
InChIKeyMPKXCZIQBYXQBA-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
CID 2227802
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61487588
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde (CID 43646171) is 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde is COc1cc(C=O)cc(Cl)c1OCc1ccsc1.
What is the InChIKey of 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The InChIKey is MPKXCZIQBYXQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-16-12-5-10(6-15)4-11(14)13(12)17-7-9-2-3-18-8-9/h2-6,8H,7H2,1H3.
What are the key properties of 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde has a molecular weight of 282.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 43646171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).