9-(4-methoxyphenyl)phenalen-1-one

C20H14O2 — CID 2754648

IUPAC9-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C(=O)C=C4)cc1
InChIInChI=1S/C20H14O2/c1-22-16-9-5-13(6-10-16)17-11-7-14-3-2-4-15-8-12-18(21)20(17)19(14)15/h2-12H,1H3
InChIKeyZGRXGTCQXRGSEI-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.72
Rot. Bonds2

About 9-(4-methoxyphenyl)phenalen-1-one

9-(4-methoxyphenyl)phenalen-1-one (PubChem CID 2754648) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name9-(4-methoxyphenyl)phenalen-1-one
PubChem CID2754648
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name9-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C(=O)C=C4)cc1
InChIInChI=1S/C20H14O2/c1-22-16-9-5-13(6-10-16)17-11-7-14-3-2-4-15-8-12-18(21)20(17)19(14)15/h2-12H,1H3
InChIKeyZGRXGTCQXRGSEI-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)phenalen-1-one?
The IUPAC name of 9-(4-methoxyphenyl)phenalen-1-one (CID 2754648) is 9-(4-methoxyphenyl)phenalen-1-one.
What is the SMILES notation for 9-(4-methoxyphenyl)phenalen-1-one?
The canonical SMILES for 9-(4-methoxyphenyl)phenalen-1-one is COc1ccc(-c2ccc3cccc4c3c2C(=O)C=C4)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)phenalen-1-one?
The InChIKey is ZGRXGTCQXRGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-16-9-5-13(6-10-16)17-11-7-14-3-2-4-15-8-12-18(21)20(17)19(14)15/h2-12H,1H3.
What are the key properties of 9-(4-methoxyphenyl)phenalen-1-one?
9-(4-methoxyphenyl)phenalen-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)phenalen-1-one is sourced from PubChem (CID 2754648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).