cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol

C12H16O2 — CID 167259654

IUPACcis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
SMILESC[C@]1(O)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-12(13)8-7-11(12)14-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyPGZNNVOMRNRIBD-RYUDHWBXSA-N
MW192.26 g/mol
LogP2.12
Rot. Bonds3

About cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol

cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol (PubChem CID 167259654) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
PubChem CID167259654
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namecis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
SMILESC[C@]1(O)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-12(13)8-7-11(12)14-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyPGZNNVOMRNRIBD-RYUDHWBXSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(3R,4S)-3,7,7-trimethyl-4-phenylmethoxyoxepan-3-ol
CID 11311604
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
CID 70826140
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
(1R,2S,5S)-5-methoxy-1-methyl-2-phenylmethoxy-9-oxabicyclo[3.3.1]nonane
CID 67906969
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol?
The IUPAC name of cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol (CID 167259654) is cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol?
The canonical SMILES for cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol is C[C@]1(O)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol?
The InChIKey is PGZNNVOMRNRIBD-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(13)8-7-11(12)14-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol?
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol is sourced from PubChem (CID 167259654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).