1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

C14H14Cl2O4 — CID 109412981

IUPAC1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c15-10-3-4-14(13(16)6-10)20-8-11(17)7-18-9-12-2-1-5-19-12/h1-6,11,17H,7-9H2
InChIKeyNEFWJYYGZNLOOJ-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.54
Rot. Bonds7

About 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 109412981) has the molecular formula C14H14Cl2O4 and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID109412981
Molecular FormulaC14H14Cl2O4
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Name1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c15-10-3-4-14(13(16)6-10)20-8-11(17)7-18-9-12-2-1-5-19-12/h1-6,11,17H,7-9H2
InChIKeyNEFWJYYGZNLOOJ-UHFFFAOYSA-N
XLogP3.54
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415104
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
3-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 109416674
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium
CID 2110408
1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415919
1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110898142
1-[1-(4-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110885671
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 60901726

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (CID 109412981) is 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is OC(COCc1ccco1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is NEFWJYYGZNLOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O4/c15-10-3-4-14(13(16)6-10)20-8-11(17)7-18-9-12-2-1-5-19-12/h1-6,11,17H,7-9H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 317.17 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109412981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).