1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

C12H14O2 — CID 117273377

IUPAC1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCOc1c(C=O)ccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h6-8H,2-5H2,1H3
InChIKeyZSSHVGUJTGNCOW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds2

About 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 117273377) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
PubChem CID117273377
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCOc1c(C=O)ccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h6-8H,2-5H2,1H3
InChIKeyZSSHVGUJTGNCOW-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (CID 117273377) is 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is COc1c(C=O)ccc2c1CCCC2.
What is the InChIKey of 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is ZSSHVGUJTGNCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h6-8H,2-5H2,1H3.
What are the key properties of 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 117273377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).