trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol

C16H24O3 — CID 101461012

IUPACtrans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol
SMILESOCCC[C@]1(CO)CCC[C@]1(O)Cc1ccccc1
InChIInChI=1S/C16H24O3/c17-11-5-9-15(13-18)8-4-10-16(15,19)12-14-6-2-1-3-7-14/h1-3,6-7,17-19H,4-5,8-13H2/t15-,16-/m0/s1
InChIKeyMWJXEYPIGDDDHO-HOTGVXAUSA-N
MW264.36 g/mol
LogP1.90
Rot. Bonds6

About trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol

trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol (PubChem CID 101461012) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol
PubChem CID101461012
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nametrans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol
SMILESOCCC[C@]1(CO)CCC[C@]1(O)Cc1ccccc1
InChIInChI=1S/C16H24O3/c17-11-5-9-15(13-18)8-4-10-16(15,19)12-14-6-2-1-3-7-14/h1-3,6-7,17-19H,4-5,8-13H2/t15-,16-/m0/s1
InChIKeyMWJXEYPIGDDDHO-HOTGVXAUSA-N
XLogP1.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol (CID 101461012) is trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol is OCCC[C@]1(CO)CCC[C@]1(O)Cc1ccccc1.
What is the InChIKey of trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol?
The InChIKey is MWJXEYPIGDDDHO-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24O3/c17-11-5-9-15(13-18)8-4-10-16(15,19)12-14-6-2-1-3-7-14/h1-3,6-7,17-19H,4-5,8-13H2/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol?
trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol has a molecular weight of 264.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol is sourced from PubChem (CID 101461012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).