2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan

C13H13ClO2 — CID 9179338

IUPAC2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan
SMILESCc1cc(Cl)ccc1O[C@H](C)c1ccco1
InChIInChI=1S/C13H13ClO2/c1-9-8-11(14)5-6-12(9)16-10(2)13-4-3-7-15-13/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyHAZFIFPYXFLOCI-SNVBAGLBSA-N
MW236.70 g/mol
LogP4.38
Rot. Bonds3

About 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan

2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan (PubChem CID 9179338) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan.

Molecular Properties

Compound Name2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan
PubChem CID9179338
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan
SMILESCc1cc(Cl)ccc1O[C@H](C)c1ccco1
InChIInChI=1S/C13H13ClO2/c1-9-8-11(14)5-6-12(9)16-10(2)13-4-3-7-15-13/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyHAZFIFPYXFLOCI-SNVBAGLBSA-N
XLogP4.38
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-chloro-2-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 79084151
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230897
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
N-[(E)-1-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]furan-2-carboxamide
CID 17373926
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan?
The IUPAC name of 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan (CID 9179338) is 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan.
What is the SMILES notation for 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan?
The canonical SMILES for 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan is Cc1cc(Cl)ccc1O[C@H](C)c1ccco1.
What is the InChIKey of 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan?
The InChIKey is HAZFIFPYXFLOCI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-8-11(14)5-6-12(9)16-10(2)13-4-3-7-15-13/h3-8,10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan?
2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan has a molecular weight of 236.70 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan is sourced from PubChem (CID 9179338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).