[4-(hydroxymethyl)phenyl] nitrite

C7H7NO3 — CID 175925378

IUPAC[4-(hydroxymethyl)phenyl] nitrite
SMILESO=NOc1ccc(CO)cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)11-8-10/h1-4,9H,5H2
InChIKeyPCZRASFAOHSPDM-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.24
Rot. Bonds3

About [4-(hydroxymethyl)phenyl] nitrite

[4-(hydroxymethyl)phenyl] nitrite (PubChem CID 175925378) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl] nitrite.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl] nitrite
PubChem CID175925378
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name[4-(hydroxymethyl)phenyl] nitrite
SMILESO=NOc1ccc(CO)cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)11-8-10/h1-4,9H,5H2
InChIKeyPCZRASFAOHSPDM-UHFFFAOYSA-N
XLogP1.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
[4-(hydroxymethyl)phenoxy]methyl formate
CID 155618940
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
O-[4-(hydroxymethyl)phenyl] N,N-dimethylcarbamothioate
CID 177308469
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
(4-ethenoxyphenyl)methanol
CID 11159400
(4-naphthalen-1-ylphenyl) nitrite
CID 87503734

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl] nitrite?
The IUPAC name of [4-(hydroxymethyl)phenyl] nitrite (CID 175925378) is [4-(hydroxymethyl)phenyl] nitrite.
What is the SMILES notation for [4-(hydroxymethyl)phenyl] nitrite?
The canonical SMILES for [4-(hydroxymethyl)phenyl] nitrite is O=NOc1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl] nitrite?
The InChIKey is PCZRASFAOHSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)11-8-10/h1-4,9H,5H2.
What are the key properties of [4-(hydroxymethyl)phenyl] nitrite?
[4-(hydroxymethyl)phenyl] nitrite has a molecular weight of 153.14 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl] nitrite is sourced from PubChem (CID 175925378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).