(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone

C16H14O2 — CID 25187487

IUPAC(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone
SMILESCC1OCc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14O2/c1-11-15-8-7-13(9-14(15)10-18-11)16(17)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyBFQDFQDEAJBRPU-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.51
Rot. Bonds2

About (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone

(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone (PubChem CID 25187487) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone
PubChem CID25187487
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone
SMILESCC1OCc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14O2/c1-11-15-8-7-13(9-14(15)10-18-11)16(17)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyBFQDFQDEAJBRPU-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-2-methyl-2H-pyran-5-one
CID 122373788
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-phenylmethanone;hydrochloride
CID 69248812
(3-aminophenyl)-phenylmethanone
CID 17817
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
[3,4-bis(trimethylsilyl)phenyl]-phenylmethanone
CID 11609549
[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone?
The IUPAC name of (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone (CID 25187487) is (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone.
What is the SMILES notation for (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone?
The canonical SMILES for (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone is CC1OCc2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone?
The InChIKey is BFQDFQDEAJBRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-15-8-7-13(9-14(15)10-18-11)16(17)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3.
What are the key properties of (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone?
(1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone has a molecular weight of 238.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,3-dihydro-2-benzofuran-5-yl)-phenylmethanone is sourced from PubChem (CID 25187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).