(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C17H20O3 — CID 65151932

IUPAC(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C17H20O3/c1-10(2)19-15-8-6-14(7-9-15)17(18)16-11(3)12(4)20-13(16)5/h6-10H,1-5H3
InChIKeyHXRVSHWEJOECPS-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.22
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151932) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151932
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C17H20O3/c1-10(2)19-15-8-6-14(7-9-15)17(18)16-11(3)12(4)20-13(16)5/h6-10H,1-5H3
InChIKeyHXRVSHWEJOECPS-UHFFFAOYSA-N
XLogP4.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151683
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
CID 105097483
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151932) is (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is HXRVSHWEJOECPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-10(2)19-15-8-6-14(7-9-15)17(18)16-11(3)12(4)20-13(16)5/h6-10H,1-5H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 272.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).