(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

C14H18O4 — CID 116921918

IUPAC(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2(CO)CCC2)c1
InChIInChI=1S/C14H18O4/c1-17-10-4-5-12(18-2)11(8-10)13(16)14(9-15)6-3-7-14/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyQIJKPZYHTYQBIS-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.05
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (PubChem CID 116921918) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
PubChem CID116921918
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2(CO)CCC2)c1
InChIInChI=1S/C14H18O4/c1-17-10-4-5-12(18-2)11(8-10)13(16)14(9-15)6-3-7-14/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyQIJKPZYHTYQBIS-UHFFFAOYSA-N
XLogP2.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
CID 116921965
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
CID 95450370
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (CID 116921918) is (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is COc1ccc(OC)c(C(=O)C2(CO)CCC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The InChIKey is QIJKPZYHTYQBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-10-4-5-12(18-2)11(8-10)13(16)14(9-15)6-3-7-14/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone has a molecular weight of 250.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 116921918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).