(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol

C12H16O3 — CID 10560294

IUPAC(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
SMILESOC[C@H]1C[C@@](O)(c2ccccc2)[C@@H]1CO
InChIInChI=1S/C12H16O3/c13-7-9-6-12(15,11(9)8-14)10-4-2-1-3-5-10/h1-5,9,11,13-15H,6-8H2/t9-,11-,12-/m1/s1
InChIKeyMKIXTPJYTDXNPV-YUSALJHKSA-N
MW208.26 g/mol
LogP0.49
Rot. Bonds3

About (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol

(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol (PubChem CID 10560294) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
PubChem CID10560294
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
SMILESOC[C@H]1C[C@@](O)(c2ccccc2)[C@@H]1CO
InChIInChI=1S/C12H16O3/c13-7-9-6-12(15,11(9)8-14)10-4-2-1-3-5-10/h1-5,9,11,13-15H,6-8H2/t9-,11-,12-/m1/s1
InChIKeyMKIXTPJYTDXNPV-YUSALJHKSA-N
XLogP0.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzamide
CID 10800732
(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol
CID 10580518
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
CID 98523856
(1S,2S,4S,5S,6R)-6-phenyl-3,8-dioxatricyclo[3.2.1.02,4]octan-6-ol
CID 23256744
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
(2R,3S,4R)-3,4-bis(hydroxymethyl)-1-methyl-4-phenylazetidin-2-ol
CID 102066317
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol?
The IUPAC name of (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol (CID 10560294) is (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol.
What is the SMILES notation for (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol?
The canonical SMILES for (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol is OC[C@H]1C[C@@](O)(c2ccccc2)[C@@H]1CO.
What is the InChIKey of (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol?
The InChIKey is MKIXTPJYTDXNPV-YUSALJHKSA-N. The full InChI is InChI=1S/C12H16O3/c13-7-9-6-12(15,11(9)8-14)10-4-2-1-3-5-10/h1-5,9,11,13-15H,6-8H2/t9-,11-,12-/m1/s1.
What are the key properties of (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol?
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 10560294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).