1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

C14H14ClNO6 — CID 109415104

IUPAC1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC(O)COCc1ccco1
InChIInChI=1S/C14H14ClNO6/c15-10-3-4-14(13(6-10)16(18)19)22-8-11(17)7-20-9-12-2-1-5-21-12/h1-6,11,17H,7-9H2
InChIKeyDUZZWLCCHRGSGA-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.80
Rot. Bonds8

About 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol

1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 109415104) has the molecular formula C14H14ClNO6 and a molecular weight of 327.72 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID109415104
Molecular FormulaC14H14ClNO6
Molecular Weight327.72 g/mol
Exact Mass327.05
IUPAC Name1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC(O)COCc1ccco1
InChIInChI=1S/C14H14ClNO6/c15-10-3-4-14(13(6-10)16(18)19)22-8-11(17)7-20-9-12-2-1-5-21-12/h1-6,11,17H,7-9H2
InChIKeyDUZZWLCCHRGSGA-UHFFFAOYSA-N
XLogP2.80
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109412981
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(4-fluoro-2-nitrophenoxy)-3-phenylmethoxypropan-2-ol
CID 109415788
2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885131
1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412942
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
1-(4-chloro-2-nitrophenyl)-N-(furan-2-ylmethyl)methanamine
CID 62100746
4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide
CID 55933566
3-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 109416674
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol (CID 109415104) is 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is O=[N+]([O-])c1cc(Cl)ccc1OCC(O)COCc1ccco1.
What is the InChIKey of 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is DUZZWLCCHRGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO6/c15-10-3-4-14(13(6-10)16(18)19)22-8-11(17)7-20-9-12-2-1-5-21-12/h1-6,11,17H,7-9H2.
What are the key properties of 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 327.72 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109415104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).