(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone

C20H16O3 — CID 102169217

IUPAC(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)CCc1coc(C(=O)c3ccccc3)c1-2
InChIInChI=1S/C20H16O3/c1-22-16-9-10-17-14(11-16)7-8-15-12-23-20(18(15)17)19(21)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyQGOUXMIVJCCVKY-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.28
Rot. Bonds3

About (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone

(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone (PubChem CID 102169217) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone
PubChem CID102169217
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)CCc1coc(C(=O)c3ccccc3)c1-2
InChIInChI=1S/C20H16O3/c1-22-16-9-10-17-14(11-16)7-8-15-12-23-20(18(15)17)19(21)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKeyQGOUXMIVJCCVKY-UHFFFAOYSA-N
XLogP4.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 27017806
7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid
CID 83234845
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-benzoyl-6-methoxychromen-4-one
CID 747889
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
CID 12972206
N'-(4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68864244

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone?
The IUPAC name of (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone (CID 102169217) is (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone.
What is the SMILES notation for (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone?
The canonical SMILES for (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone is COc1ccc2c(c1)CCc1coc(C(=O)c3ccccc3)c1-2.
What is the InChIKey of (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone?
The InChIKey is QGOUXMIVJCCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-16-9-10-17-14(11-16)7-8-15-12-23-20(18(15)17)19(21)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3.
What are the key properties of (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone?
(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone has a molecular weight of 304.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone is sourced from PubChem (CID 102169217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).