2-ethylbenzo[b]phenalen-7-one

C19H14O — CID 163449460

IUPAC2-ethylbenzo[b]phenalen-7-one
SMILESCCc1cc2c3c(cccc3c1)C(=O)c1ccccc1-2
InChIInChI=1S/C19H14O/c1-2-12-10-13-6-5-9-16-18(13)17(11-12)14-7-3-4-8-15(14)19(16)20/h3-11H,2H2,1H3
InChIKeyBFJMCUMRBSFSPK-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.61
Rot. Bonds1

About 2-ethylbenzo[b]phenalen-7-one

2-ethylbenzo[b]phenalen-7-one (PubChem CID 163449460) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethylbenzo[b]phenalen-7-one.

Molecular Properties

Compound Name2-ethylbenzo[b]phenalen-7-one
PubChem CID163449460
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name2-ethylbenzo[b]phenalen-7-one
SMILESCCc1cc2c3c(cccc3c1)C(=O)c1ccccc1-2
InChIInChI=1S/C19H14O/c1-2-12-10-13-6-5-9-16-18(13)17(11-12)14-7-3-4-8-15(14)19(16)20/h3-11H,2H2,1H3
InChIKeyBFJMCUMRBSFSPK-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethylfluoren-9-one
CID 11344805
benzo[a]phenalen-7-one;ethane
CID 90765972
2-hydroxybenzo[b]phenalen-7-one
CID 11242034
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
4-(fluoromethyl)acenaphthylene-1,2-dione
CID 70971024
1,3-diethylanthracene-9,10-dione
CID 22321054
N,N-bis(4-ethylphenyl)fluoranthen-2-amine
CID 139765595
4-chloro-2-ethylfluoren-9-one
CID 134268958
2-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)pentanedial
CID 165088334
anthracene-9,10-dione;propane
CID 162068050
2,6-diethylanthracene-9,10-dione
CID 130464580
5-ethyl-2-(trifluoromethylsulfanyloxy)benzo[de]isoquinoline-1,3-dione
CID 145155615

Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzo[b]phenalen-7-one?
The IUPAC name of 2-ethylbenzo[b]phenalen-7-one (CID 163449460) is 2-ethylbenzo[b]phenalen-7-one.
What is the SMILES notation for 2-ethylbenzo[b]phenalen-7-one?
The canonical SMILES for 2-ethylbenzo[b]phenalen-7-one is CCc1cc2c3c(cccc3c1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-ethylbenzo[b]phenalen-7-one?
The InChIKey is BFJMCUMRBSFSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-2-12-10-13-6-5-9-16-18(13)17(11-12)14-7-3-4-8-15(14)19(16)20/h3-11H,2H2,1H3.
What are the key properties of 2-ethylbenzo[b]phenalen-7-one?
2-ethylbenzo[b]phenalen-7-one has a molecular weight of 258.32 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzo[b]phenalen-7-one is sourced from PubChem (CID 163449460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).