[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol

C12H15BrO — CID 138467946

IUPAC[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
SMILESOC[C@H]1CC[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrO/c13-12-5-3-10(4-6-12)11-2-1-9(7-11)8-14/h3-6,9,11,14H,1-2,7-8H2/t9-,11+/m0/s1
InChIKeyGSQQGJGGQNJUBG-GXSJLCMTSA-N
MW255.15 g/mol
LogP3.33
Rot. Bonds2

About [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol

[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol (PubChem CID 138467946) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
PubChem CID138467946
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
SMILESOC[C@H]1CC[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrO/c13-12-5-3-10(4-6-12)11-2-1-9(7-11)8-14/h3-6,9,11,14H,1-2,7-8H2/t9-,11+/m0/s1
InChIKeyGSQQGJGGQNJUBG-GXSJLCMTSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol (CID 138467946) is [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol is OC[C@H]1CC[C@@H](c2ccc(Br)cc2)C1.
What is the InChIKey of [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol?
The InChIKey is GSQQGJGGQNJUBG-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15BrO/c13-12-5-3-10(4-6-12)11-2-1-9(7-11)8-14/h3-6,9,11,14H,1-2,7-8H2/t9-,11+/m0/s1.
What are the key properties of [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol?
[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol has a molecular weight of 255.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol is sourced from PubChem (CID 138467946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).