2-[1-(4-chlorophenyl)ethyl]furan

C12H11ClO — CID 21387728

IUPAC2-[1-(4-chlorophenyl)ethyl]furan
SMILESCC(c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H11ClO/c1-9(12-3-2-8-14-12)10-4-6-11(13)7-5-10/h2-9H,1H3
InChIKeyIVVSBZSOVSPXHU-UHFFFAOYSA-N
MW206.67 g/mol
LogP4.08
Rot. Bonds2

About 2-[1-(4-chlorophenyl)ethyl]furan

2-[1-(4-chlorophenyl)ethyl]furan (PubChem CID 21387728) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl]furan
PubChem CID21387728
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name2-[1-(4-chlorophenyl)ethyl]furan
SMILESCC(c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H11ClO/c1-9(12-3-2-8-14-12)10-4-6-11(13)7-5-10/h2-9H,1H3
InChIKeyIVVSBZSOVSPXHU-UHFFFAOYSA-N
XLogP4.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
2-[1-(2-chlorophenyl)ethyl]furan
CID 21387745
[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
CID 7376292
2-[bromo-(4-propan-2-ylphenyl)methyl]furan
CID 63443544
(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
CID 7632387
[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
CID 166439605
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
CID 7392780
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
CID 95256736
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl]furan?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl]furan (CID 21387728) is 2-[1-(4-chlorophenyl)ethyl]furan.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl]furan?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl]furan is CC(c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl]furan?
The InChIKey is IVVSBZSOVSPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c1-9(12-3-2-8-14-12)10-4-6-11(13)7-5-10/h2-9H,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl]furan?
2-[1-(4-chlorophenyl)ethyl]furan has a molecular weight of 206.67 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl]furan is sourced from PubChem (CID 21387728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).