(2-methylcyclobutyl)oxymethylbenzene

C12H16O — CID 163589446

IUPAC(2-methylcyclobutyl)oxymethylbenzene
SMILESCC1CCC1OCc1ccccc1
InChIInChI=1S/C12H16O/c1-10-7-8-12(10)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGOGVRDICIFTNFQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.00
Rot. Bonds3

About (2-methylcyclobutyl)oxymethylbenzene

(2-methylcyclobutyl)oxymethylbenzene (PubChem CID 163589446) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2-methylcyclobutyl)oxymethylbenzene.

Molecular Properties

Compound Name(2-methylcyclobutyl)oxymethylbenzene
PubChem CID163589446
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2-methylcyclobutyl)oxymethylbenzene
SMILESCC1CCC1OCc1ccccc1
InChIInChI=1S/C12H16O/c1-10-7-8-12(10)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGOGVRDICIFTNFQ-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
4-methyl-3-phenylmethoxypiperidine
CID 102954119
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclobutyl)oxymethylbenzene?
The IUPAC name of (2-methylcyclobutyl)oxymethylbenzene (CID 163589446) is (2-methylcyclobutyl)oxymethylbenzene.
What is the SMILES notation for (2-methylcyclobutyl)oxymethylbenzene?
The canonical SMILES for (2-methylcyclobutyl)oxymethylbenzene is CC1CCC1OCc1ccccc1.
What is the InChIKey of (2-methylcyclobutyl)oxymethylbenzene?
The InChIKey is GOGVRDICIFTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10-7-8-12(10)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of (2-methylcyclobutyl)oxymethylbenzene?
(2-methylcyclobutyl)oxymethylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclobutyl)oxymethylbenzene is sourced from PubChem (CID 163589446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).