2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol

C16H16Cl2O3 — CID 150703031

IUPAC2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol
SMILESCC(C)Oc1cc(COc2ccc(O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H16Cl2O3/c1-10(2)21-16-7-11(3-5-13(16)17)9-20-12-4-6-15(19)14(18)8-12/h3-8,10,19H,9H2,1-2H3
InChIKeyJMGYVMLQMBZACD-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.07
Rot. Bonds5

About 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol

2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol (PubChem CID 150703031) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol
PubChem CID150703031
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol
SMILESCC(C)Oc1cc(COc2ccc(O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H16Cl2O3/c1-10(2)21-16-7-11(3-5-13(16)17)9-20-12-4-6-15(19)14(18)8-12/h3-8,10,19H,9H2,1-2H3
InChIKeyJMGYVMLQMBZACD-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol?
The IUPAC name of 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol (CID 150703031) is 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol.
What is the SMILES notation for 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol?
The canonical SMILES for 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol is CC(C)Oc1cc(COc2ccc(O)c(Cl)c2)ccc1Cl.
What is the InChIKey of 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol?
The InChIKey is JMGYVMLQMBZACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-10(2)21-16-7-11(3-5-13(16)17)9-20-12-4-6-15(19)14(18)8-12/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol?
2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol has a molecular weight of 327.21 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol is sourced from PubChem (CID 150703031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).