(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone

C14H14O3 — CID 115791255

IUPAC(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCCOc1cccc(C(=O)c2ccc(C)o2)c1
InChIInChI=1S/C14H14O3/c1-3-16-12-6-4-5-11(9-12)14(15)13-8-7-10(2)17-13/h4-9H,3H2,1-2H3
InChIKeyKNVVZAAWYWNMCU-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.22
Rot. Bonds4

About (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone

(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 115791255) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID115791255
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCCOc1cccc(C(=O)c2ccc(C)o2)c1
InChIInChI=1S/C14H14O3/c1-3-16-12-6-4-5-11(9-12)14(15)13-8-7-10(2)17-13/h4-9H,3H2,1-2H3
InChIKeyKNVVZAAWYWNMCU-UHFFFAOYSA-N
XLogP3.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
methyl 3-ethoxybenzoate
CID 3267781
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
2-(3-ethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3421860
(3-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105122423
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone (CID 115791255) is (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone is CCOc1cccc(C(=O)c2ccc(C)o2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is KNVVZAAWYWNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-16-12-6-4-5-11(9-12)14(15)13-8-7-10(2)17-13/h4-9H,3H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 230.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 115791255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).