[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone

C16H22O3 — CID 116921965

IUPAC[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
SMILESCOc1cc(C(C)C)ccc1C(=O)C1(CO)CCC1
InChIInChI=1S/C16H22O3/c1-11(2)12-5-6-13(14(9-12)19-3)15(18)16(10-17)7-4-8-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyASAYOWDEZQBBDL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds5

About [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone

[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone (PubChem CID 116921965) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
PubChem CID116921965
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
SMILESCOc1cc(C(C)C)ccc1C(=O)C1(CO)CCC1
InChIInChI=1S/C16H22O3/c1-11(2)12-5-6-13(14(9-12)19-3)15(18)16(10-17)7-4-8-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyASAYOWDEZQBBDL-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242735
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
(E)-3-(2-methoxy-4-propan-2-ylphenyl)-4-methylpent-2-enoic acid
CID 82302738
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone (CID 116921965) is [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone is COc1cc(C(C)C)ccc1C(=O)C1(CO)CCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone?
The InChIKey is ASAYOWDEZQBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)12-5-6-13(14(9-12)19-3)15(18)16(10-17)7-4-8-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone?
[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116921965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).