2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde

C20H16O3 — CID 20616848

IUPAC2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
SMILESCOc1ccc2c(c1)Cc1c-2cc2ccc(OC)cc2c1C=O
InChIInChI=1S/C20H16O3/c1-22-14-5-6-16-13(7-14)9-19-18(16)8-12-3-4-15(23-2)10-17(12)20(19)11-21/h3-8,10-11H,9H2,1-2H3
InChIKeyPHTOKDZRSALOAM-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.24
Rot. Bonds3

About 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde

2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde (PubChem CID 20616848) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde.

Molecular Properties

Compound Name2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
PubChem CID20616848
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
SMILESCOc1ccc2c(c1)Cc1c-2cc2ccc(OC)cc2c1C=O
InChIInChI=1S/C20H16O3/c1-22-14-5-6-16-13(7-14)9-19-18(16)8-12-3-4-15(23-2)10-17(12)20(19)11-21/h3-8,10-11H,9H2,1-2H3
InChIKeyPHTOKDZRSALOAM-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde?
The IUPAC name of 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde (CID 20616848) is 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde.
What is the SMILES notation for 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde?
The canonical SMILES for 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde is COc1ccc2c(c1)Cc1c-2cc2ccc(OC)cc2c1C=O.
What is the InChIKey of 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde?
The InChIKey is PHTOKDZRSALOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-14-5-6-16-13(7-14)9-19-18(16)8-12-3-4-15(23-2)10-17(12)20(19)11-21/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde?
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde has a molecular weight of 304.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde is sourced from PubChem (CID 20616848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).