1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one

C18H22O2 — CID 105089444

IUPAC1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCc2ccco2)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-8-6-14(7-9-15)13-16(19)10-11-17-5-4-12-20-17/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCDHBZFWQOXAGOG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one

1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one (PubChem CID 105089444) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
PubChem CID105089444
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCc2ccco2)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-8-6-14(7-9-15)13-16(19)10-11-17-5-4-12-20-17/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCDHBZFWQOXAGOG-UHFFFAOYSA-N
XLogP4.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
CID 105103087
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
CID 61053856
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 17382599
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368
2-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]acetic acid
CID 39424492
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one (CID 105089444) is 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one is CC(C)(C)c1ccc(CC(=O)CCc2ccco2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one?
The InChIKey is CDHBZFWQOXAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-18(2,3)15-8-6-14(7-9-15)13-16(19)10-11-17-5-4-12-20-17/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one?
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one has a molecular weight of 270.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one is sourced from PubChem (CID 105089444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).