(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone

C14H14O3 — CID 43626038

IUPAC(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H14O3/c1-9-4-6-12(16-3)11(8-9)14(15)13-7-5-10(2)17-13/h4-8H,1-3H3
InChIKeyISTBQBFSIGREOO-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.14
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone

(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 43626038) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID43626038
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H14O3/c1-9-4-6-12(16-3)11(8-9)14(15)13-7-5-10(2)17-13/h4-8H,1-3H3
InChIKeyISTBQBFSIGREOO-UHFFFAOYSA-N
XLogP3.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 104785039
N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 7148143
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone (CID 43626038) is (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone is COc1ccc(C)cc1C(=O)c1ccc(C)o1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is ISTBQBFSIGREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-4-6-12(16-3)11(8-9)14(15)13-7-5-10(2)17-13/h4-8H,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 230.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43626038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).