3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol

C13H10Cl2O2 — CID 71351776

IUPAC3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol
SMILESOc1cccc(Cl)c1Cc1c(O)cccc1Cl
InChIInChI=1S/C13H10Cl2O2/c14-10-3-1-5-12(16)8(10)7-9-11(15)4-2-6-13(9)17/h1-6,16-17H,7H2
InChIKeyJXRJCEWQVOBGMX-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.00
Rot. Bonds2

About 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol

3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol (PubChem CID 71351776) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol
PubChem CID71351776
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol
SMILESOc1cccc(Cl)c1Cc1c(O)cccc1Cl
InChIInChI=1S/C13H10Cl2O2/c14-10-3-1-5-12(16)8(10)7-9-11(15)4-2-6-13(9)17/h1-6,16-17H,7H2
InChIKeyJXRJCEWQVOBGMX-UHFFFAOYSA-N
XLogP4.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol?
The IUPAC name of 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol (CID 71351776) is 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol is Oc1cccc(Cl)c1Cc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol?
The InChIKey is JXRJCEWQVOBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-10-3-1-5-12(16)8(10)7-9-11(15)4-2-6-13(9)17/h1-6,16-17H,7H2.
What are the key properties of 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol?
3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol has a molecular weight of 269.13 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chloro-6-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 71351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).