(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol

C12H10ClNO5 — CID 104546223

IUPAC(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10ClNO5/c1-18-9-3-2-7(13)6-8(9)12(15)10-4-5-11(19-10)14(16)17/h2-6,12,15H,1H3
InChIKeyFYIGZCKXWVAJLT-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.93
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol

(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol (PubChem CID 104546223) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
PubChem CID104546223
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10ClNO5/c1-18-9-3-2-7(13)6-8(9)12(15)10-4-5-11(19-10)14(16)17/h2-6,12,15H,1H3
InChIKeyFYIGZCKXWVAJLT-UHFFFAOYSA-N
XLogP2.93
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3-bromo-5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61101709
(2,4-dimethoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61087514
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947326
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-nitrofuran
CID 61085084
(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61099625
(2,5-dichlorophenyl)-(5-nitrofuran-2-yl)methanamine
CID 43384513
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43480257
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(5-chloro-2-methoxyphenyl)-(furan-3-yl)methanol
CID 63894957

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol (CID 104546223) is (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol is COc1ccc(Cl)cc1C(O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
The InChIKey is FYIGZCKXWVAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c1-18-9-3-2-7(13)6-8(9)12(15)10-4-5-11(19-10)14(16)17/h2-6,12,15H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol?
(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol has a molecular weight of 283.67 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol is sourced from PubChem (CID 104546223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).