1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde

C15H12OS — CID 11172512

IUPAC1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(c2cccs2)c2ccccc2CC1
InChIInChI=1S/C15H12OS/c16-10-12-8-7-11-4-1-2-5-13(11)15(12)14-6-3-9-17-14/h1-6,9-10H,7-8H2
InChIKeyRZYKUPVKIXLARM-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.70
Rot. Bonds2

About 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde

1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 11172512) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID11172512
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(c2cccs2)c2ccccc2CC1
InChIInChI=1S/C15H12OS/c16-10-12-8-7-11-4-1-2-5-13(11)15(12)14-6-3-9-17-14/h1-6,9-10H,7-8H2
InChIKeyRZYKUPVKIXLARM-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole
CID 155668339
2-methyl-1-thiophen-2-yl-3,4-dihydroisoquinolin-2-ium
CID 10665869
1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088796
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
3-thiophen-2-ylpyridine-2-carbaldehyde
CID 86594751
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline
CID 70830056
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde (CID 11172512) is 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde is O=CC1=C(c2cccs2)c2ccccc2CC1.
What is the InChIKey of 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is RZYKUPVKIXLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c16-10-12-8-7-11-4-1-2-5-13(11)15(12)14-6-3-9-17-14/h1-6,9-10H,7-8H2.
What are the key properties of 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde?
1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 240.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 11172512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).