2-[(3-nitrocarbazol-9-yl)methyl]phenol

C19H14N2O3 — CID 2227412

IUPAC2-[(3-nitrocarbazol-9-yl)methyl]phenol
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1O
InChIInChI=1S/C19H14N2O3/c22-19-8-4-1-5-13(19)12-20-17-7-3-2-6-15(17)16-11-14(21(23)24)9-10-18(16)20/h1-11,22H,12H2
InChIKeyQAMPECHPMWXZHY-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.46
Rot. Bonds3

About 2-[(3-nitrocarbazol-9-yl)methyl]phenol

2-[(3-nitrocarbazol-9-yl)methyl]phenol (PubChem CID 2227412) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(3-nitrocarbazol-9-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-nitrocarbazol-9-yl)methyl]phenol
PubChem CID2227412
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[(3-nitrocarbazol-9-yl)methyl]phenol
SMILESO=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1O
InChIInChI=1S/C19H14N2O3/c22-19-8-4-1-5-13(19)12-20-17-7-3-2-6-15(17)16-11-14(21(23)24)9-10-18(16)20/h1-11,22H,12H2
InChIKeyQAMPECHPMWXZHY-UHFFFAOYSA-N
XLogP4.46
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrocarbazol-9-yl)methyl]phenol?
The IUPAC name of 2-[(3-nitrocarbazol-9-yl)methyl]phenol (CID 2227412) is 2-[(3-nitrocarbazol-9-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-nitrocarbazol-9-yl)methyl]phenol?
The canonical SMILES for 2-[(3-nitrocarbazol-9-yl)methyl]phenol is O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1O.
What is the InChIKey of 2-[(3-nitrocarbazol-9-yl)methyl]phenol?
The InChIKey is QAMPECHPMWXZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19-8-4-1-5-13(19)12-20-17-7-3-2-6-15(17)16-11-14(21(23)24)9-10-18(16)20/h1-11,22H,12H2.
What are the key properties of 2-[(3-nitrocarbazol-9-yl)methyl]phenol?
2-[(3-nitrocarbazol-9-yl)methyl]phenol has a molecular weight of 318.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrocarbazol-9-yl)methyl]phenol is sourced from PubChem (CID 2227412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).