1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol

C14H19BrO2 — CID 102948328

IUPAC1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCC1CCCC1
InChIInChI=1S/C14H19BrO2/c1-10(16)13-7-6-12(15)8-14(13)17-9-11-4-2-3-5-11/h6-8,10-11,16H,2-5,9H2,1H3
InChIKeyDKOPYRUJIHBYBG-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol

1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol (PubChem CID 102948328) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
PubChem CID102948328
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCC1CCCC1
InChIInChI=1S/C14H19BrO2/c1-10(16)13-7-6-12(15)8-14(13)17-9-11-4-2-3-5-11/h6-8,10-11,16H,2-5,9H2,1H3
InChIKeyDKOPYRUJIHBYBG-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol (CID 102948328) is 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1OCC1CCCC1.
What is the InChIKey of 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol?
The InChIKey is DKOPYRUJIHBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-10(16)13-7-6-12(15)8-14(13)17-9-11-4-2-3-5-11/h6-8,10-11,16H,2-5,9H2,1H3.
What are the key properties of 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol?
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol has a molecular weight of 299.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102948328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).