4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde

C14H14O2S — CID 154403201

IUPAC4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde
SMILESCOc1ccccc1CCc1csc(C=O)c1
InChIInChI=1S/C14H14O2S/c1-16-14-5-3-2-4-12(14)7-6-11-8-13(9-15)17-10-11/h2-5,8-10H,6-7H2,1H3
InChIKeyUEGZEZUIVKIVRF-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde

4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde (PubChem CID 154403201) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde
PubChem CID154403201
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde
SMILESCOc1ccccc1CCc1csc(C=O)c1
InChIInChI=1S/C14H14O2S/c1-16-14-5-3-2-4-12(14)7-6-11-8-13(9-15)17-10-11/h2-5,8-10H,6-7H2,1H3
InChIKeyUEGZEZUIVKIVRF-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.35
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-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
4-methoxythiophene-2-carbaldehyde
CID 18313550
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 107165782
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
N-[2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylmethanimine
CID 90458441
1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409449
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
7-[2-(2-methoxyphenyl)ethyl]-3-methyl-5H-thieno[2,3-d]pyridazin-4-one
CID 121449942

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde (CID 154403201) is 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde is COc1ccccc1CCc1csc(C=O)c1.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde?
The InChIKey is UEGZEZUIVKIVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-14-5-3-2-4-12(14)7-6-11-8-13(9-15)17-10-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde?
4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 154403201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).