[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol

C14H12Cl2O2 — CID 155153862

IUPAC[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol
SMILESOCc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2O2/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7,17H,8-9H2
InChIKeyUBAHAMNEQLXSGD-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.06
Rot. Bonds4

About [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol

[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol (PubChem CID 155153862) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol
PubChem CID155153862
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol
SMILESOCc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2O2/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7,17H,8-9H2
InChIKeyUBAHAMNEQLXSGD-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol?
The IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol (CID 155153862) is [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol is OCc1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol?
The InChIKey is UBAHAMNEQLXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7,17H,8-9H2.
What are the key properties of [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol?
[3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol has a molecular weight of 283.15 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dichlorophenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 155153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).