1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene

C14H19BrO2 — CID 66321596

IUPAC1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
SMILESBrc1cccc(OCCOCC2CCCC2)c1
InChIInChI=1S/C14H19BrO2/c15-13-6-3-7-14(10-13)17-9-8-16-11-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2
InChIKeyHGXXRCVAXYHXBO-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.03
Rot. Bonds6

About 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene

1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene (PubChem CID 66321596) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
PubChem CID66321596
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
SMILESBrc1cccc(OCCOCC2CCCC2)c1
InChIInChI=1S/C14H19BrO2/c15-13-6-3-7-14(10-13)17-9-8-16-11-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2
InChIKeyHGXXRCVAXYHXBO-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
CID 62383023
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
[3-[2-(cyclopropylmethoxy)ethoxy]phenyl]boronic acid
CID 54970934
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene (CID 66321596) is 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene is Brc1cccc(OCCOCC2CCCC2)c1.
What is the InChIKey of 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene?
The InChIKey is HGXXRCVAXYHXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c15-13-6-3-7-14(10-13)17-9-8-16-11-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2.
What are the key properties of 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene?
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene has a molecular weight of 299.21 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene is sourced from PubChem (CID 66321596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).