(1-phenylmethoxycyclobutyl)methanesulfonyl chloride

C12H15ClO3S — CID 115050877

IUPAC(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(OCc2ccccc2)CCC1
InChIInChI=1S/C12H15ClO3S/c13-17(14,15)10-12(7-4-8-12)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyJONNLLHLMSJASV-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.69
Rot. Bonds5

About (1-phenylmethoxycyclobutyl)methanesulfonyl chloride

(1-phenylmethoxycyclobutyl)methanesulfonyl chloride (PubChem CID 115050877) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is (1-phenylmethoxycyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
PubChem CID115050877
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(OCc2ccccc2)CCC1
InChIInChI=1S/C12H15ClO3S/c13-17(14,15)10-12(7-4-8-12)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyJONNLLHLMSJASV-UHFFFAOYSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
2-(1-phenylmethoxycyclohexyl)acetaldehyde
CID 115039002
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
(3-phenylmethoxypiperidin-3-yl)methanesulfinate
CID 115050188
benzyl methanesulfonate;formaldehyde
CID 175233269
benzyl N-[[4-(chlorosulfonylmethyl)oxan-4-yl]methyl]-N-methylcarbamate
CID 84715796
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185
4-(phenylmethoxymethyl)benzenesulfonyl chloride
CID 11066402
[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82827480
1-phenylmethoxycyclohex-2-ene-1-carboxylic acid
CID 150519089

Frequently Asked Questions

What is the IUPAC name of (1-phenylmethoxycyclobutyl)methanesulfonyl chloride?
The IUPAC name of (1-phenylmethoxycyclobutyl)methanesulfonyl chloride (CID 115050877) is (1-phenylmethoxycyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (1-phenylmethoxycyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (1-phenylmethoxycyclobutyl)methanesulfonyl chloride is O=S(=O)(Cl)CC1(OCc2ccccc2)CCC1.
What is the InChIKey of (1-phenylmethoxycyclobutyl)methanesulfonyl chloride?
The InChIKey is JONNLLHLMSJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c13-17(14,15)10-12(7-4-8-12)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of (1-phenylmethoxycyclobutyl)methanesulfonyl chloride?
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylmethoxycyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 115050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).