1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol

C14H19BrO2 — CID 103160598

IUPAC1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
SMILESOC(COc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H19BrO2/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2
InChIKeyBIWBLZKFVNLGIP-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol

1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol (PubChem CID 103160598) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
PubChem CID103160598
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
SMILESOC(COc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H19BrO2/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2
InChIKeyBIWBLZKFVNLGIP-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
4-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103156157
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol (CID 103160598) is 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol is OC(COc1cccc(Br)c1)CC1CCCC1.
What is the InChIKey of 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol?
The InChIKey is BIWBLZKFVNLGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2.
What are the key properties of 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol?
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol has a molecular weight of 299.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103160598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).