7-methoxy-1,10c-dihydropyrene-2-carbaldehyde

C18H14O2 — CID 88533571

IUPAC7-methoxy-1,10c-dihydropyrene-2-carbaldehyde
SMILESCOC1=CC2=CC=C3C=C(C=O)CC4=C3C2C(=C1)C=C4
InChIInChI=1S/C18H14O2/c1-20-16-8-14-4-2-12-6-11(10-19)7-13-3-5-15(9-16)18(14)17(12)13/h2-6,8-10,18H,7H2,1H3
InChIKeyRFOXRJIBIUYZJK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.33
Rot. Bonds2

About 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde

7-methoxy-1,10c-dihydropyrene-2-carbaldehyde (PubChem CID 88533571) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1,10c-dihydropyrene-2-carbaldehyde
PubChem CID88533571
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name7-methoxy-1,10c-dihydropyrene-2-carbaldehyde
SMILESCOC1=CC2=CC=C3C=C(C=O)CC4=C3C2C(=C1)C=C4
InChIInChI=1S/C18H14O2/c1-20-16-8-14-4-2-12-6-11(10-19)7-13-3-5-15(9-16)18(14)17(12)13/h2-6,8-10,18H,7H2,1H3
InChIKeyRFOXRJIBIUYZJK-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.33
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 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde?
The IUPAC name of 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde (CID 88533571) is 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde is COC1=CC2=CC=C3C=C(C=O)CC4=C3C2C(=C1)C=C4.
What is the InChIKey of 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde?
The InChIKey is RFOXRJIBIUYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-20-16-8-14-4-2-12-6-11(10-19)7-13-3-5-15(9-16)18(14)17(12)13/h2-6,8-10,18H,7H2,1H3.
What are the key properties of 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde?
7-methoxy-1,10c-dihydropyrene-2-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,10c-dihydropyrene-2-carbaldehyde is sourced from PubChem (CID 88533571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).