2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol

C15H14Cl2O3 — CID 107663415

IUPAC2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol
SMILESCOCCOc1ccccc1-c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C15H14Cl2O3/c1-19-6-7-20-15-5-3-2-4-10(15)11-8-13(17)14(18)9-12(11)16/h2-5,8-9,18H,6-7H2,1H3
InChIKeyCHTPLSOZUYENQT-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.39
Rot. Bonds5

About 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol

2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol (PubChem CID 107663415) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol.

Molecular Properties

Compound Name2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol
PubChem CID107663415
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol
SMILESCOCCOc1ccccc1-c1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C15H14Cl2O3/c1-19-6-7-20-15-5-3-2-4-10(15)11-8-13(17)14(18)9-12(11)16/h2-5,8-9,18H,6-7H2,1H3
InChIKeyCHTPLSOZUYENQT-UHFFFAOYSA-N
XLogP4.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-4-(2-methoxyphenyl)phenol
CID 107663290
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
5-chloro-2-(2-methoxyphenyl)-4-methylphenol
CID 39232302
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol?
The IUPAC name of 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol (CID 107663415) is 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol.
What is the SMILES notation for 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol?
The canonical SMILES for 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol is COCCOc1ccccc1-c1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol?
The InChIKey is CHTPLSOZUYENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c1-19-6-7-20-15-5-3-2-4-10(15)11-8-13(17)14(18)9-12(11)16/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol?
2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol has a molecular weight of 313.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol is sourced from PubChem (CID 107663415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).