[4-[(4-nitrophenyl)methyl]phenyl]methanol

C14H13NO3 — CID 118428999

IUPAC[4-[(4-nitrophenyl)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H13NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8,16H,9-10H2
InChIKeyDCSSOCGMPLQANY-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.68
Rot. Bonds4

About [4-[(4-nitrophenyl)methyl]phenyl]methanol

[4-[(4-nitrophenyl)methyl]phenyl]methanol (PubChem CID 118428999) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is [4-[(4-nitrophenyl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-nitrophenyl)methyl]phenyl]methanol
PubChem CID118428999
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name[4-[(4-nitrophenyl)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H13NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8,16H,9-10H2
InChIKeyDCSSOCGMPLQANY-UHFFFAOYSA-N
XLogP2.68
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[4-[(4-nitrophenyl)methylsulfanylmethyl]phenyl]methanol
CID 83518630
[4-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
nitrobenzene;phenylmethanol
CID 160558550
dideuterio-(4-nitrophenyl)methanol
CID 10241023
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
5-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxylic acid
CID 59058024
carbonic acid;4-nitrophenol;phenylmethanol
CID 129275137
1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium
CID 4610547
potassium 2-(4-nitrophenyl)acetate
CID 15261201
(4-aminophenyl)methanol;(4-nitrophenyl) hydrogen carbonate
CID 174217270
[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032

Frequently Asked Questions

What is the IUPAC name of [4-[(4-nitrophenyl)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-nitrophenyl)methyl]phenyl]methanol (CID 118428999) is [4-[(4-nitrophenyl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-nitrophenyl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-nitrophenyl)methyl]phenyl]methanol is O=[N+]([O-])c1ccc(Cc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[(4-nitrophenyl)methyl]phenyl]methanol?
The InChIKey is DCSSOCGMPLQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-14(8-6-12)15(17)18/h1-8,16H,9-10H2.
What are the key properties of [4-[(4-nitrophenyl)methyl]phenyl]methanol?
[4-[(4-nitrophenyl)methyl]phenyl]methanol has a molecular weight of 243.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-nitrophenyl)methyl]phenyl]methanol is sourced from PubChem (CID 118428999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).