(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone

C16H17ClO2 — CID 106683844

IUPAC(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C16H17ClO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3
InChIKeyTZEYNKSFEXQXEQ-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.85
Rot. Bonds4

About (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone

(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 106683844) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID106683844
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C16H17ClO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3
InChIKeyTZEYNKSFEXQXEQ-UHFFFAOYSA-N
XLogP4.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258055
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258191
2-[4-(5-bromofuran-2-carbonyl)phenyl]-2-methylpropanedioic acid
CID 22754622
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
CID 66245946
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
CID 106683716

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 106683844) is (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is TZEYNKSFEXQXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3.
What are the key properties of (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 276.76 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 106683844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).