(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

C15H20O3 — CID 116921953

IUPAC(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCCOc1ccc(C(=O)C2(CO)CCC2)cc1C
InChIInChI=1S/C15H20O3/c1-3-18-13-6-5-12(9-11(13)2)14(17)15(10-16)7-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyUQJPJYFYNCEEGF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.74
Rot. Bonds5

About (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (PubChem CID 116921953) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
PubChem CID116921953
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCCOc1ccc(C(=O)C2(CO)CCC2)cc1C
InChIInChI=1S/C15H20O3/c1-3-18-13-6-5-12(9-11(13)2)14(17)15(10-16)7-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyUQJPJYFYNCEEGF-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855436
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441
1-(4-ethoxy-3-methylphenyl)-2-sulfanylethanone
CID 116829864
2-bromo-1-(4-ethoxy-3-methylphenyl)ethanone
CID 82482827
(E)-4-(4-ethoxy-3-methylphenyl)-4-oxobut-2-enoic acid
CID 82051437
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
2-(4-ethoxy-3-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918521
(4-ethoxy-3-methylphenyl)-(oxiran-2-yl)methanone
CID 116826439
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The IUPAC name of (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (CID 116921953) is (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is CCOc1ccc(C(=O)C2(CO)CCC2)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The InChIKey is UQJPJYFYNCEEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-13-6-5-12(9-11(13)2)14(17)15(10-16)7-4-8-15/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone has a molecular weight of 248.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 116921953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).