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

C20H14O2 — CID 11044357

IUPAC4-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1
InChIInChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-7-14-3-2-4-18-19(21)12-11-17(16)20(14)18/h2-12H,1H3
InChIKeyZIMGGEXMXOMFEI-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.72
Rot. Bonds2

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

4-(4-methoxyphenyl)phenalen-1-one (PubChem CID 11044357) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)phenalen-1-one
PubChem CID11044357
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name4-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1
InChIInChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-7-14-3-2-4-18-19(21)12-11-17(16)20(14)18/h2-12H,1H3
InChIKeyZIMGGEXMXOMFEI-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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Related Compounds

Nabumetone
CID 4409
Avobenzone
CID 51040
Naproxen Sodium
CID 23681059
Beta-Naphthoflavone
CID 2361
Adapalene
CID 60164
Alpha-Naphthoflavone
CID 11790
6-Methoxy-2-naphthylacetic acid
CID 32176
Cra 13
CID 9799417
6-Methoxy-alpha-tetralone
CID 14112
4-Methoxychalcone
CID 641819
6-Methoxy-2-naphthaldehyde
CID 76991
C.I. Vat Green 1
CID 31410

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)phenalen-1-one?
The IUPAC name of 4-(4-methoxyphenyl)phenalen-1-one (CID 11044357) is 4-(4-methoxyphenyl)phenalen-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)phenalen-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)phenalen-1-one is COc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)phenalen-1-one?
The InChIKey is ZIMGGEXMXOMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-7-14-3-2-4-18-19(21)12-11-17(16)20(14)18/h2-12H,1H3.
What are the key properties of 4-(4-methoxyphenyl)phenalen-1-one?
4-(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 4-(4-methoxyphenyl)phenalen-1-one is sourced from PubChem (CID 11044357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).