7-(4-methoxyphenyl)phenalen-1-one

C20H14O2 — CID 166453595

IUPAC7-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3c4c(cccc24)C=CC3=O)cc1
InChIInChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-11-18-19(21)12-7-14-3-2-4-17(16)20(14)18/h2-12H,1H3
InChIKeySZMPGHNGLYYOIH-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.72
Rot. Bonds2

About 7-(4-methoxyphenyl)phenalen-1-one

7-(4-methoxyphenyl)phenalen-1-one (PubChem CID 166453595) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)phenalen-1-one
PubChem CID166453595
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name7-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3c4c(cccc24)C=CC3=O)cc1
InChIInChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-11-18-19(21)12-7-14-3-2-4-17(16)20(14)18/h2-12H,1H3
InChIKeySZMPGHNGLYYOIH-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

7,8-dimethoxyphenalen-1-one
CID 10490203
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
9,24,36-tris(4-methoxyphenyl)tridecacyclo[20.18.2.22,5.16,10.126,30.03,18.04,15.019,41.023,37.025,35.038,42.014,44.034,43]hexatetraconta-1(40),2(46),3(18),4(15),5(45),6,8,10,12,14(44),16,19(41),20,22(42),23,25(35),26,28,30(43),31,33,36,38-tricosaene
CID 147141731
azane;phenalen-1-one
CID 175328338
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163714484
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
5-acenaphthylen-5-ylacenaphthylene
CID 14931397
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
6-methoxyanthracene-1,4-dione
CID 70804223
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)phenalen-1-one?
The IUPAC name of 7-(4-methoxyphenyl)phenalen-1-one (CID 166453595) is 7-(4-methoxyphenyl)phenalen-1-one.
What is the SMILES notation for 7-(4-methoxyphenyl)phenalen-1-one?
The canonical SMILES for 7-(4-methoxyphenyl)phenalen-1-one is COc1ccc(-c2ccc3c4c(cccc24)C=CC3=O)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)phenalen-1-one?
The InChIKey is SZMPGHNGLYYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-15-8-5-13(6-9-15)16-10-11-18-19(21)12-7-14-3-2-4-17(16)20(14)18/h2-12H,1H3.
What are the key properties of 7-(4-methoxyphenyl)phenalen-1-one?
7-(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 7-(4-methoxyphenyl)phenalen-1-one is sourced from PubChem (CID 166453595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).