2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane

C22H20O3 — CID 123143178

IUPAC2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
SMILESCC.O=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1
InChIInChI=1S/C20H14O3.C2H6/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22;1-2/h1-11,17H,12H2;1-2H3
InChIKeySDZASAZXGPOJCY-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.83
Rot. Bonds2

About 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane

2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane (PubChem CID 123143178) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane.

Molecular Properties

Compound Name2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
PubChem CID123143178
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
SMILESCC.O=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1
InChIInChI=1S/C20H14O3.C2H6/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22;1-2/h1-11,17H,12H2;1-2H3
InChIKeySDZASAZXGPOJCY-UHFFFAOYSA-N
XLogP4.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)benzoyl]-1,2-dihydrobenzo[f]chromen-3-one
CID 42637493
2-(3-methoxybenzoyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 67130523
2-(2-bromobenzoyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 42637494
3-benzoyl-6-phenyl-3,4-dihydrochromen-2-one
CID 58459923
(4-bromophenyl)-[(2S)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
CID 162647542
(1Z)-1-phenacylidenebenzo[e][1]benzofuran-2-one
CID 139224030
[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
CID 146048375
(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
CID 6933934
[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
CID 146048336
(14R,15R)-14,15-diphenyl-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene-13,16-dione
CID 11477920
3-benzoyl-3H-1-benzofuran-2-one
CID 70129495
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane?
The IUPAC name of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane (CID 123143178) is 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane.
What is the SMILES notation for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane?
The canonical SMILES for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane is CC.O=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane?
The InChIKey is SDZASAZXGPOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3.C2H6/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22;1-2/h1-11,17H,12H2;1-2H3.
What are the key properties of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane?
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane has a molecular weight of 332.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane is sourced from PubChem (CID 123143178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).