2-chloro-5-(hydroxymethyl)benzene-1,4-diol

C7H7ClO3 — CID 55253170

IUPAC2-chloro-5-(hydroxymethyl)benzene-1,4-diol
SMILESOCc1cc(O)c(Cl)cc1O
InChIInChI=1S/C7H7ClO3/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,9-11H,3H2
InChIKeyMMRPECTVCTVLKS-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.24
Rot. Bonds1

About 2-chloro-5-(hydroxymethyl)benzene-1,4-diol

2-chloro-5-(hydroxymethyl)benzene-1,4-diol (PubChem CID 55253170) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 2-chloro-5-(hydroxymethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-chloro-5-(hydroxymethyl)benzene-1,4-diol
PubChem CID55253170
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name2-chloro-5-(hydroxymethyl)benzene-1,4-diol
SMILESOCc1cc(O)c(Cl)cc1O
InChIInChI=1S/C7H7ClO3/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,9-11H,3H2
InChIKeyMMRPECTVCTVLKS-UHFFFAOYSA-N
XLogP1.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydroxymethyl)benzene-1,4-diol?
The IUPAC name of 2-chloro-5-(hydroxymethyl)benzene-1,4-diol (CID 55253170) is 2-chloro-5-(hydroxymethyl)benzene-1,4-diol.
What is the SMILES notation for 2-chloro-5-(hydroxymethyl)benzene-1,4-diol?
The canonical SMILES for 2-chloro-5-(hydroxymethyl)benzene-1,4-diol is OCc1cc(O)c(Cl)cc1O.
What is the InChIKey of 2-chloro-5-(hydroxymethyl)benzene-1,4-diol?
The InChIKey is MMRPECTVCTVLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,9-11H,3H2.
What are the key properties of 2-chloro-5-(hydroxymethyl)benzene-1,4-diol?
2-chloro-5-(hydroxymethyl)benzene-1,4-diol has a molecular weight of 174.58 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hydroxymethyl)benzene-1,4-diol is sourced from PubChem (CID 55253170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).