1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one

C14H14O2 — CID 83172579

IUPAC1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccco2)cc1
InChIInChI=1S/C14H14O2/c1-11-4-6-12(7-5-11)9-13(15)10-14-3-2-8-16-14/h2-8H,9-10H2,1H3
InChIKeyXDTCVPZPUYLMTJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.94
Rot. Bonds4

About 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one

1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one (PubChem CID 83172579) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
PubChem CID83172579
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccco2)cc1
InChIInChI=1S/C14H14O2/c1-11-4-6-12(7-5-11)9-13(15)10-14-3-2-8-16-14/h2-8H,9-10H2,1H3
InChIKeyXDTCVPZPUYLMTJ-UHFFFAOYSA-N
XLogP2.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one (CID 83172579) is 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is XDTCVPZPUYLMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11-4-6-12(7-5-11)9-13(15)10-14-3-2-8-16-14/h2-8H,9-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one?
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 214.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 83172579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).