4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol

C13H10Cl2O2 — CID 21288827

IUPAC4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
SMILESOc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H10Cl2O2/c14-10-1-2-13(17)9(6-10)3-8-4-11(15)7-12(16)5-8/h1-2,4-7,16-17H,3H2
InChIKeyFNZWSLWYJUEKNT-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.00
Rot. Bonds2

About 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol

4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol (PubChem CID 21288827) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
PubChem CID21288827
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
SMILESOc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H10Cl2O2/c14-10-1-2-13(17)9(6-10)3-8-4-11(15)7-12(16)5-8/h1-2,4-7,16-17H,3H2
InChIKeyFNZWSLWYJUEKNT-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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Related Compounds

4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol
CID 134547009
4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 175278741
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-6-nitrophenol
CID 12800487
4-chloro-2-(isocyanomethyl)phenol
CID 83480800
(5-chloro-2-hydroxyphenyl)methyl-methanidylazanium
CID 58907459
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol (CID 21288827) is 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol is Oc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1.
What is the InChIKey of 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol?
The InChIKey is FNZWSLWYJUEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-10-1-2-13(17)9(6-10)3-8-4-11(15)7-12(16)5-8/h1-2,4-7,16-17H,3H2.
What are the key properties of 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol?
4-chloro-2-[(3-chloro-5-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 4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 21288827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).