2-chloro-5-methylbenzene-1,3-diol

C7H7ClO2 — CID 5324741

IUPAC2-chloro-5-methylbenzene-1,3-diol
SMILESCc1cc(O)c(Cl)c(O)c1
InChIInChI=1S/C7H7ClO2/c1-4-2-5(9)7(8)6(10)3-4/h2-3,9-10H,1H3
InChIKeyHLQYXRVJOUOMFF-UHFFFAOYSA-N
MW158.58 g/mol
LogP2.06
Rot. Bonds

About 2-chloro-5-methylbenzene-1,3-diol

2-chloro-5-methylbenzene-1,3-diol (PubChem CID 5324741) has the molecular formula C7H7ClO2 and a molecular weight of 158.58 g/mol. Its IUPAC name is 2-chloro-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-chloro-5-methylbenzene-1,3-diol
PubChem CID5324741
Molecular FormulaC7H7ClO2
Molecular Weight158.58 g/mol
Exact Mass158.01
IUPAC Name2-chloro-5-methylbenzene-1,3-diol
SMILESCc1cc(O)c(Cl)c(O)c1
InChIInChI=1S/C7H7ClO2/c1-4-2-5(9)7(8)6(10)3-4/h2-3,9-10H,1H3
InChIKeyHLQYXRVJOUOMFF-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylbenzene-1,3-diol?
The IUPAC name of 2-chloro-5-methylbenzene-1,3-diol (CID 5324741) is 2-chloro-5-methylbenzene-1,3-diol.
What is the SMILES notation for 2-chloro-5-methylbenzene-1,3-diol?
The canonical SMILES for 2-chloro-5-methylbenzene-1,3-diol is Cc1cc(O)c(Cl)c(O)c1.
What is the InChIKey of 2-chloro-5-methylbenzene-1,3-diol?
The InChIKey is HLQYXRVJOUOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2/c1-4-2-5(9)7(8)6(10)3-4/h2-3,9-10H,1H3.
What are the key properties of 2-chloro-5-methylbenzene-1,3-diol?
2-chloro-5-methylbenzene-1,3-diol has a molecular weight of 158.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylbenzene-1,3-diol is sourced from PubChem (CID 5324741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).