1-(2-bromoethoxy)-3-phenoxybenzene

C14H13BrO2 — CID 86227563

IUPAC1-(2-bromoethoxy)-3-phenoxybenzene
SMILESBrCCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H13BrO2/c15-9-10-16-13-7-4-8-14(11-13)17-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyVWXNMSXQEGSUEP-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.25
Rot. Bonds5

About 1-(2-bromoethoxy)-3-phenoxybenzene

1-(2-bromoethoxy)-3-phenoxybenzene (PubChem CID 86227563) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-phenoxybenzene
PubChem CID86227563
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-(2-bromoethoxy)-3-phenoxybenzene
SMILESBrCCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H13BrO2/c15-9-10-16-13-7-4-8-14(11-13)17-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyVWXNMSXQEGSUEP-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
1,3-bis(10-bromodecoxy)benzene
CID 11800753
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
1-(2-bromoethoxy)-3-(difluoromethyl)benzene
CID 121207937
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484402
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
2-(3-phenoxyphenoxy)acetate
CID 22411603

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-phenoxybenzene?
The IUPAC name of 1-(2-bromoethoxy)-3-phenoxybenzene (CID 86227563) is 1-(2-bromoethoxy)-3-phenoxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-3-phenoxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)-3-phenoxybenzene is BrCCOc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(2-bromoethoxy)-3-phenoxybenzene?
The InChIKey is VWXNMSXQEGSUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c15-9-10-16-13-7-4-8-14(11-13)17-12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 1-(2-bromoethoxy)-3-phenoxybenzene?
1-(2-bromoethoxy)-3-phenoxybenzene has a molecular weight of 293.16 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-phenoxybenzene is sourced from PubChem (CID 86227563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).