3-cyclohexyl-1-(furan-3-yl)propan-1-one

C13H18O2 — CID 114971693

IUPAC3-cyclohexyl-1-(furan-3-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1ccoc1
InChIInChI=1S/C13H18O2/c14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2
InChIKeyDYPQKFMVKUVKRG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.82
Rot. Bonds4

About 3-cyclohexyl-1-(furan-3-yl)propan-1-one

3-cyclohexyl-1-(furan-3-yl)propan-1-one (PubChem CID 114971693) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-cyclohexyl-1-(furan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(furan-3-yl)propan-1-one
PubChem CID114971693
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-cyclohexyl-1-(furan-3-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1ccoc1
InChIInChI=1S/C13H18O2/c14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2
InChIKeyDYPQKFMVKUVKRG-UHFFFAOYSA-N
XLogP3.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-(furan-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
CID 116563516
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one
CID 167065608
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
3-cyclohexyl-N-[1-(furan-3-yl)propan-2-yl]propanamide
CID 121126983
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 146007743
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(furan-3-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(furan-3-yl)propan-1-one (CID 114971693) is 3-cyclohexyl-1-(furan-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(furan-3-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(furan-3-yl)propan-1-one is O=C(CCC1CCCCC1)c1ccoc1.
What is the InChIKey of 3-cyclohexyl-1-(furan-3-yl)propan-1-one?
The InChIKey is DYPQKFMVKUVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2.
What are the key properties of 3-cyclohexyl-1-(furan-3-yl)propan-1-one?
3-cyclohexyl-1-(furan-3-yl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(furan-3-yl)propan-1-one is sourced from PubChem (CID 114971693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).