(4-methoxyphenyl)methanol;nitric acid

C8H11NO5 — CID 71402449

IUPAC(4-methoxyphenyl)methanol;nitric acid
SMILESCOc1ccc(CO)cc1.O=[N+]([O-])O
InChIInChI=1S/C8H10O2.HNO3/c1-10-8-4-2-7(6-9)3-5-8;2-1(3)4/h2-5,9H,6H2,1H3;(H,2,3,4)
InChIKeyOPQRLTLNFBBDLH-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.84
Rot. Bonds2

About (4-methoxyphenyl)methanol;nitric acid

(4-methoxyphenyl)methanol;nitric acid (PubChem CID 71402449) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (4-methoxyphenyl)methanol;nitric acid.

Molecular Properties

Compound Name(4-methoxyphenyl)methanol;nitric acid
PubChem CID71402449
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(4-methoxyphenyl)methanol;nitric acid
SMILESCOc1ccc(CO)cc1.O=[N+]([O-])O
InChIInChI=1S/C8H10O2.HNO3/c1-10-8-4-2-7(6-9)3-5-8;2-1(3)4/h2-5,9H,6H2,1H3;(H,2,3,4)
InChIKeyOPQRLTLNFBBDLH-UHFFFAOYSA-N
XLogP0.84
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methanol;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methanol
CID 7738
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
CID 140913976
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
[4-[(3-methoxy-5-nitrophenyl)methoxy]phenyl]methanol
CID 81152309
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
3-(4-methoxyphenyl)-2-nitropropanethioic S-acid
CID 87676467
1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol
CID 158538625
1-methoxy-4-(2-nitrobutyl)benzene
CID 121217488
methyl (E,4S)-5-(4-methoxyphenyl)-4-nitrooxypent-2-enoate
CID 11119512

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methanol;nitric acid?
The IUPAC name of (4-methoxyphenyl)methanol;nitric acid (CID 71402449) is (4-methoxyphenyl)methanol;nitric acid.
What is the SMILES notation for (4-methoxyphenyl)methanol;nitric acid?
The canonical SMILES for (4-methoxyphenyl)methanol;nitric acid is COc1ccc(CO)cc1.O=[N+]([O-])O.
What is the InChIKey of (4-methoxyphenyl)methanol;nitric acid?
The InChIKey is OPQRLTLNFBBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.HNO3/c1-10-8-4-2-7(6-9)3-5-8;2-1(3)4/h2-5,9H,6H2,1H3;(H,2,3,4).
What are the key properties of (4-methoxyphenyl)methanol;nitric acid?
(4-methoxyphenyl)methanol;nitric acid has a molecular weight of 201.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methanol;nitric acid is sourced from PubChem (CID 71402449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).