2-[bromo-(4-phenoxyphenyl)methyl]thiophene

C17H13BrOS — CID 63437846

IUPAC2-[bromo-(4-phenoxyphenyl)methyl]thiophene
SMILESBrC(c1ccc(Oc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H13BrOS/c18-17(16-7-4-12-20-16)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-12,17H
InChIKeyHATVQXXHADBVRW-UHFFFAOYSA-N
MW345.26 g/mol
LogP6.02
Rot. Bonds4

About 2-[bromo-(4-phenoxyphenyl)methyl]thiophene

2-[bromo-(4-phenoxyphenyl)methyl]thiophene (PubChem CID 63437846) has the molecular formula C17H13BrOS and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-[bromo-(4-phenoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[bromo-(4-phenoxyphenyl)methyl]thiophene
PubChem CID63437846
Molecular FormulaC17H13BrOS
Molecular Weight345.26 g/mol
Exact Mass343.99
IUPAC Name2-[bromo-(4-phenoxyphenyl)methyl]thiophene
SMILESBrC(c1ccc(Oc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H13BrOS/c18-17(16-7-4-12-20-16)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-12,17H
InChIKeyHATVQXXHADBVRW-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.26
LogP ≤ 56.02
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

2-bromo-5-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437888
2-bromo-4-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 107964615
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
CID 63437977
3-[bromo-(4-phenoxyphenyl)methyl]furan
CID 63437933
2-[bromo-(3,4,5-trimethoxyphenyl)methyl]thiophene
CID 61096299
2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene
CID 131857214
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1-(1-bromoethyl)-4-[4-(1-bromoethyl)phenoxy]benzene
CID 21417768

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-phenoxyphenyl)methyl]thiophene?
The IUPAC name of 2-[bromo-(4-phenoxyphenyl)methyl]thiophene (CID 63437846) is 2-[bromo-(4-phenoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-[bromo-(4-phenoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-[bromo-(4-phenoxyphenyl)methyl]thiophene is BrC(c1ccc(Oc2ccccc2)cc1)c1cccs1.
What is the InChIKey of 2-[bromo-(4-phenoxyphenyl)methyl]thiophene?
The InChIKey is HATVQXXHADBVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrOS/c18-17(16-7-4-12-20-16)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-12,17H.
What are the key properties of 2-[bromo-(4-phenoxyphenyl)methyl]thiophene?
2-[bromo-(4-phenoxyphenyl)methyl]thiophene has a molecular weight of 345.26 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-phenoxyphenyl)methyl]thiophene is sourced from PubChem (CID 63437846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).