1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone

C16H14O2 — CID 63021429

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14O2/c1-11-4-2-3-5-15(11)16(17)12-6-7-13-9-18-10-14(13)8-12/h2-8H,9-10H2,1H3
InChIKeyMJRPPBVPVLPVSW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone

1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone (PubChem CID 63021429) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
PubChem CID63021429
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14O2/c1-11-4-2-3-5-15(11)16(17)12-6-7-13-9-18-10-14(13)8-12/h2-8H,9-10H2,1H3
InChIKeyMJRPPBVPVLPVSW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
CID 115608476
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
4-(2-methylbenzoyl)phthalic acid
CID 22362607
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
CID 114029198
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone (CID 63021429) is 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone?
The InChIKey is MJRPPBVPVLPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-4-2-3-5-15(11)16(17)12-6-7-13-9-18-10-14(13)8-12/h2-8H,9-10H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone has a molecular weight of 238.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone is sourced from PubChem (CID 63021429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).