cyclopentyl-[2-(methoxymethoxy)phenyl]methanone

C14H18O3 — CID 10082767

IUPACcyclopentyl-[2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccccc1C(=O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-16-10-17-13-9-5-4-8-12(13)14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyTZQHZCHEXGKGFU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.04
Rot. Bonds5

About cyclopentyl-[2-(methoxymethoxy)phenyl]methanone

cyclopentyl-[2-(methoxymethoxy)phenyl]methanone (PubChem CID 10082767) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopentyl-[2-(methoxymethoxy)phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(methoxymethoxy)phenyl]methanone
PubChem CID10082767
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namecyclopentyl-[2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccccc1C(=O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-16-10-17-13-9-5-4-8-12(13)14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyTZQHZCHEXGKGFU-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
CID 54125386
(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate
CID 91065711
(2-ethoxyphenyl)-[4-(2-methylpropylamino)cycloheptyl]methanone
CID 57098277
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(methoxymethoxy)phenyl]methanone?
The IUPAC name of cyclopentyl-[2-(methoxymethoxy)phenyl]methanone (CID 10082767) is cyclopentyl-[2-(methoxymethoxy)phenyl]methanone.
What is the SMILES notation for cyclopentyl-[2-(methoxymethoxy)phenyl]methanone?
The canonical SMILES for cyclopentyl-[2-(methoxymethoxy)phenyl]methanone is COCOc1ccccc1C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-[2-(methoxymethoxy)phenyl]methanone?
The InChIKey is TZQHZCHEXGKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-10-17-13-9-5-4-8-12(13)14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3.
What are the key properties of cyclopentyl-[2-(methoxymethoxy)phenyl]methanone?
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone has a molecular weight of 234.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(methoxymethoxy)phenyl]methanone is sourced from PubChem (CID 10082767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).