[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone

C23H18O2 — CID 10758504

IUPAC[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone
SMILESCOC=C1c2ccccc2C(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18O2/c1-25-15-21-17-11-5-7-13-19(17)22(20-14-8-6-12-18(20)21)23(24)16-9-3-2-4-10-16/h2-15,22H,1H3/b21-15-
InChIKeyAIXKXSCKSZTHTA-QNGOZBTKSA-N
MW326.40 g/mol
LogP5.05
Rot. Bonds3

About [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone

[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone (PubChem CID 10758504) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone
PubChem CID10758504
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone
SMILESCOC=C1c2ccccc2C(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18O2/c1-25-15-21-17-11-5-7-13-19(17)22(20-14-8-6-12-18(20)21)23(24)16-9-3-2-4-10-16/h2-15,22H,1H3/b21-15-
InChIKeyAIXKXSCKSZTHTA-QNGOZBTKSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone?
The IUPAC name of [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone (CID 10758504) is [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone.
What is the SMILES notation for [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone?
The canonical SMILES for [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone is COC=C1c2ccccc2C(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone?
The InChIKey is AIXKXSCKSZTHTA-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H18O2/c1-25-15-21-17-11-5-7-13-19(17)22(20-14-8-6-12-18(20)21)23(24)16-9-3-2-4-10-16/h2-15,22H,1H3/b21-15-.
What are the key properties of [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone?
[10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(methoxymethylidene)-9H-anthracen-9-yl]-phenylmethanone is sourced from PubChem (CID 10758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).