[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol

C11H14O2 — CID 101480035

IUPAC[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
SMILESOCC1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1
InChIKeyVAXCXWNVPTZKLC-JTQLQIEISA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds3

About [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol

[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol (PubChem CID 101480035) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
PubChem CID101480035
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
SMILESOCC1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C11H14O2/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1
InChIKeyVAXCXWNVPTZKLC-JTQLQIEISA-N
XLogP1.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
CID 178189931
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
CID 167878323
[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
CID 139793925
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
CID 95002734
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
CID 63208056
1-(2-hydroxyethyl)-2-phenylcyclopropane-1-sulfonamide
CID 174760464

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol?
The IUPAC name of [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol (CID 101480035) is [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol.
What is the SMILES notation for [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol?
The canonical SMILES for [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol is OCC1(CO)C[C@H]1c1ccccc1.
What is the InChIKey of [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol?
The InChIKey is VAXCXWNVPTZKLC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O2/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2/t10-/m0/s1.
What are the key properties of [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol?
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol has a molecular weight of 178.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol is sourced from PubChem (CID 101480035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).