(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone

C14H11NO5 — CID 14241911

IUPAC(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1
InChIInChI=1S/C14H11NO5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3
InChIKeyYTRMUHUEZKOYOZ-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.54
Rot. Bonds4

About (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone

(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone (PubChem CID 14241911) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
PubChem CID14241911
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1
InChIInChI=1S/C14H11NO5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3
InChIKeyYTRMUHUEZKOYOZ-UHFFFAOYSA-N
XLogP2.54
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.54
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

(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 12585195
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
2-(2-hydroxy-4-methoxyphenyl)-5-nitrobenzoic acid
CID 102343962
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
CID 151360261
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone (CID 14241911) is (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone is COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The InChIKey is YTRMUHUEZKOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone?
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone has a molecular weight of 273.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 14241911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).