2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one

C16H18O2 — CID 121354882

IUPAC2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
SMILESCc1ccc(-c2cccc(C(=O)C(C)(C)C)c2)o1
InChIInChI=1S/C16H18O2/c1-11-8-9-14(18-11)12-6-5-7-13(10-12)15(17)16(2,3)4/h5-10H,1-4H3
InChIKeyCXSRWFBBGWAZPO-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.48
Rot. Bonds2

About 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one

2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one (PubChem CID 121354882) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
PubChem CID121354882
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
SMILESCc1ccc(-c2cccc(C(=O)C(C)(C)C)c2)o1
InChIInChI=1S/C16H18O2/c1-11-8-9-14(18-11)12-6-5-7-13(10-12)15(17)16(2,3)4/h5-10H,1-4H3
InChIKeyCXSRWFBBGWAZPO-UHFFFAOYSA-N
XLogP4.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(5-methylfuran-2-yl)phenyl]boronic acid
CID 90487961
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
3-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 116879017
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
2,2-dimethyl-1-[3-(1H-pyrazol-4-yl)phenyl]propan-1-one
CID 121354891
1-[3-(1H-imidazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58252487
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[3-(5-methylfuran-2-yl)phenyl]methanone;hydrochloride
CID 154900493
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
3-(5-methylfuran-2-yl)benzonitrile
CID 4058362
3-[5-(carboxymethyl)furan-2-yl]benzoic acid
CID 84756413
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 50948822

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one (CID 121354882) is 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one is Cc1ccc(-c2cccc(C(=O)C(C)(C)C)c2)o1.
What is the InChIKey of 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one?
The InChIKey is CXSRWFBBGWAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-8-9-14(18-11)12-6-5-7-13(10-12)15(17)16(2,3)4/h5-10H,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one?
2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one has a molecular weight of 242.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 121354882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).