2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone

C12H12O2 — CID 10679161

IUPAC2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCO2)cc1
InChIInChI=1S/C12H12O2/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h3-7H,2,8H2,1H3
InChIKeyWOJFQNJKKVTTLN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.48
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone

2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone (PubChem CID 10679161) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone
PubChem CID10679161
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCO2)cc1
InChIInChI=1S/C12H12O2/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h3-7H,2,8H2,1H3
InChIKeyWOJFQNJKKVTTLN-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-1,4-Naphthoquinone
CID 16871
2,3-Dimethoxy-1,4-naphthoquinone
CID 3136
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
2,2-Diethoxyacetophenone
CID 22555
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
2-Benzoyl-5-methoxybenzoquinone
CID 6710718
3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione
CID 178515
Ethyl 3-(4-methylphenyl)-3-oxopropanoate
CID 292637
Pibecarb
CID 71114

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone (CID 10679161) is 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=CCCO2)cc1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone?
The InChIKey is WOJFQNJKKVTTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h3-7H,2,8H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone?
2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone has a molecular weight of 188.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 10679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).