2,5-bis[(3-chlorophenyl)methoxy]phenol

C20H16Cl2O3 — CID 139941886

IUPAC2,5-bis[(3-chlorophenyl)methoxy]phenol
SMILESOc1cc(OCc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H16Cl2O3/c21-16-5-1-3-14(9-16)12-24-18-7-8-20(19(23)11-18)25-13-15-4-2-6-17(22)10-15/h1-11,23H,12-13H2
InChIKeyOUNGYTPZPUTHIS-UHFFFAOYSA-N
MW375.25 g/mol
LogP5.86
Rot. Bonds6

About 2,5-bis[(3-chlorophenyl)methoxy]phenol

2,5-bis[(3-chlorophenyl)methoxy]phenol (PubChem CID 139941886) has the molecular formula C20H16Cl2O3 and a molecular weight of 375.25 g/mol. Its IUPAC name is 2,5-bis[(3-chlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2,5-bis[(3-chlorophenyl)methoxy]phenol
PubChem CID139941886
Molecular FormulaC20H16Cl2O3
Molecular Weight375.25 g/mol
Exact Mass374.05
IUPAC Name2,5-bis[(3-chlorophenyl)methoxy]phenol
SMILESOc1cc(OCc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H16Cl2O3/c21-16-5-1-3-14(9-16)12-24-18-7-8-20(19(23)11-18)25-13-15-4-2-6-17(22)10-15/h1-11,23H,12-13H2
InChIKeyOUNGYTPZPUTHIS-UHFFFAOYSA-N
XLogP5.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60800997
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(3-chlorophenyl)methoxy]phenol?
The IUPAC name of 2,5-bis[(3-chlorophenyl)methoxy]phenol (CID 139941886) is 2,5-bis[(3-chlorophenyl)methoxy]phenol.
What is the SMILES notation for 2,5-bis[(3-chlorophenyl)methoxy]phenol?
The canonical SMILES for 2,5-bis[(3-chlorophenyl)methoxy]phenol is Oc1cc(OCc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2,5-bis[(3-chlorophenyl)methoxy]phenol?
The InChIKey is OUNGYTPZPUTHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O3/c21-16-5-1-3-14(9-16)12-24-18-7-8-20(19(23)11-18)25-13-15-4-2-6-17(22)10-15/h1-11,23H,12-13H2.
What are the key properties of 2,5-bis[(3-chlorophenyl)methoxy]phenol?
2,5-bis[(3-chlorophenyl)methoxy]phenol has a molecular weight of 375.25 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(3-chlorophenyl)methoxy]phenol is sourced from PubChem (CID 139941886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).