4-(3,4-dimethoxyphenyl)phenalen-1-one

C21H16O3 — CID 166453606

IUPAC4-(3,4-dimethoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1OC
InChIInChI=1S/C21H16O3/c1-23-19-11-7-14(12-20(19)24-2)15-8-6-13-4-3-5-17-18(22)10-9-16(15)21(13)17/h3-12H,1-2H3
InChIKeyYUMWFTHQCLXHOI-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.73
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)phenalen-1-one

4-(3,4-dimethoxyphenyl)phenalen-1-one (PubChem CID 166453606) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)phenalen-1-one
PubChem CID166453606
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name4-(3,4-dimethoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1OC
InChIInChI=1S/C21H16O3/c1-23-19-11-7-14(12-20(19)24-2)15-8-6-13-4-3-5-17-18(22)10-9-16(15)21(13)17/h3-12H,1-2H3
InChIKeyYUMWFTHQCLXHOI-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,8,11-tetrakis(3,4-dimethoxyphenyl)quinoxalino[2,3-b]phenazine-6,13-dione
CID 170781812
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
CID 86190531
azane;phenalen-1-one
CID 175328338
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
7-(4-methoxyphenyl)phenalen-1-one
CID 166453595
2,3-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrophenalen-1-one
CID 10830657
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
2-[3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
CID 2984470
3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
CID 125282222
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)phenalen-1-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)phenalen-1-one (CID 166453606) is 4-(3,4-dimethoxyphenyl)phenalen-1-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)phenalen-1-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)phenalen-1-one is COc1ccc(-c2ccc3cccc4c3c2C=CC4=O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)phenalen-1-one?
The InChIKey is YUMWFTHQCLXHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-23-19-11-7-14(12-20(19)24-2)15-8-6-13-4-3-5-17-18(22)10-9-16(15)21(13)17/h3-12H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)phenalen-1-one?
4-(3,4-dimethoxyphenyl)phenalen-1-one has a molecular weight of 316.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)phenalen-1-one is sourced from PubChem (CID 166453606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).