2-[4-(4-bromophenyl)-3-chlorobutyl]furan

C14H14BrClO — CID 63519888

IUPAC2-[4-(4-bromophenyl)-3-chlorobutyl]furan
SMILESClC(CCc1ccco1)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrClO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10H2
InChIKeyGXINMUQQABNZRB-UHFFFAOYSA-N
MW313.62 g/mol
LogP4.82
Rot. Bonds5

About 2-[4-(4-bromophenyl)-3-chlorobutyl]furan

2-[4-(4-bromophenyl)-3-chlorobutyl]furan (PubChem CID 63519888) has the molecular formula C14H14BrClO and a molecular weight of 313.62 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-chlorobutyl]furan.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-chlorobutyl]furan
PubChem CID63519888
Molecular FormulaC14H14BrClO
Molecular Weight313.62 g/mol
Exact Mass311.99
IUPAC Name2-[4-(4-bromophenyl)-3-chlorobutyl]furan
SMILESClC(CCc1ccco1)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrClO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10H2
InChIKeyGXINMUQQABNZRB-UHFFFAOYSA-N
XLogP4.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(2-chlorobutyl)benzene
CID 18417634
1-bromo-4-(2,3-dichloropropyl)benzene
CID 86177885
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
2-[2-chloro-4-(furan-2-yl)butyl]-1,3-benzothiazole
CID 66458933
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105090556
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-[(4-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
CID 4741914
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
CID 105082155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-3-chlorobutyl]furan?
The IUPAC name of 2-[4-(4-bromophenyl)-3-chlorobutyl]furan (CID 63519888) is 2-[4-(4-bromophenyl)-3-chlorobutyl]furan.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-chlorobutyl]furan?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-chlorobutyl]furan is ClC(CCc1ccco1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-chlorobutyl]furan?
The InChIKey is GXINMUQQABNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10H2.
What are the key properties of 2-[4-(4-bromophenyl)-3-chlorobutyl]furan?
2-[4-(4-bromophenyl)-3-chlorobutyl]furan has a molecular weight of 313.62 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-3-chlorobutyl]furan is sourced from PubChem (CID 63519888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).