2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol

C14H12BrClO2 — CID 146252135

IUPAC2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol
SMILESCc1ccc(C(O)c2cccc(Cl)c2O)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-8-5-6-9(11(15)7-8)13(17)10-3-2-4-12(16)14(10)18/h2-7,13,17-18H,1H3
InChIKeyLISGCHVNEPKTDP-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.20
Rot. Bonds2

About 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol

2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol (PubChem CID 146252135) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol
PubChem CID146252135
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol
SMILESCc1ccc(C(O)c2cccc(Cl)c2O)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-8-5-6-9(11(15)7-8)13(17)10-3-2-4-12(16)14(10)18/h2-7,13,17-18H,1H3
InChIKeyLISGCHVNEPKTDP-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol (CID 146252135) is 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol is Cc1ccc(C(O)c2cccc(Cl)c2O)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol?
The InChIKey is LISGCHVNEPKTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-8-5-6-9(11(15)7-8)13(17)10-3-2-4-12(16)14(10)18/h2-7,13,17-18H,1H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol?
2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol has a molecular weight of 327.61 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol is sourced from PubChem (CID 146252135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).