[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone

C12H15O2P — CID 134430140

IUPAC[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone
SMILESCc1ccccc1OC1CC(C(=O)P)C1
InChIInChI=1S/C12H15O2P/c1-8-4-2-3-5-11(8)14-10-6-9(7-10)12(13)15/h2-5,9-10H,6-7,15H2,1H3
InChIKeyFCQLMYNBAMOGDA-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.55
Rot. Bonds3

About [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone

[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone (PubChem CID 134430140) has the molecular formula C12H15O2P and a molecular weight of 222.22 g/mol. Its IUPAC name is [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone.

Molecular Properties

Compound Name[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone
PubChem CID134430140
Molecular FormulaC12H15O2P
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone
SMILESCc1ccccc1OC1CC(C(=O)P)C1
InChIInChI=1S/C12H15O2P/c1-8-4-2-3-5-11(8)14-10-6-9(7-10)12(13)15/h2-5,9-10H,6-7,15H2,1H3
InChIKeyFCQLMYNBAMOGDA-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70742909
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
1-amino-3-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 79648383
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
CID 20679128
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
CID 66345059
(3S,4R,6S)-6-(2-methylphenoxy)oxane-3,4-diol
CID 59967025
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 70744445
4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
CID 60879724
3-(2,3-dimethylphenoxy)cyclobutan-1-amine
CID 66358304

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone?
The IUPAC name of [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone (CID 134430140) is [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone.
What is the SMILES notation for [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone?
The canonical SMILES for [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone is Cc1ccccc1OC1CC(C(=O)P)C1.
What is the InChIKey of [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone?
The InChIKey is FCQLMYNBAMOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2P/c1-8-4-2-3-5-11(8)14-10-6-9(7-10)12(13)15/h2-5,9-10H,6-7,15H2,1H3.
What are the key properties of [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone?
[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone has a molecular weight of 222.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone is sourced from PubChem (CID 134430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).