2,5-dichloro-4-(3,4-diethoxyphenyl)phenol

C16H16Cl2O3 — CID 107663304

IUPAC2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
SMILESCCOc1ccc(-c2cc(Cl)c(O)cc2Cl)cc1OCC
InChIInChI=1S/C16H16Cl2O3/c1-3-20-15-6-5-10(7-16(15)21-4-2)11-8-13(18)14(19)9-12(11)17/h5-9,19H,3-4H2,1-2H3
InChIKeyYCULPQDECUWTDV-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.16
Rot. Bonds5

About 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol

2,5-dichloro-4-(3,4-diethoxyphenyl)phenol (PubChem CID 107663304) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
PubChem CID107663304
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
SMILESCCOc1ccc(-c2cc(Cl)c(O)cc2Cl)cc1OCC
InChIInChI=1S/C16H16Cl2O3/c1-3-20-15-6-5-10(7-16(15)21-4-2)11-8-13(18)14(19)9-12(11)17/h5-9,19H,3-4H2,1-2H3
InChIKeyYCULPQDECUWTDV-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-(3-ethoxyphenyl)phenol
CID 107663392
5-chloro-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509872
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
CID 61025839
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
CID 107663404
5-chloro-4-[5-(3-ethoxy-4-hydroxyphenyl)-1-(2-hydroxyethyl)pyrazol-3-yl]-2-methoxyphenol
CID 136801500
4-[2-(3,4-diethoxyphenyl)-5-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-2-ethylphenol;dihydrochloride
CID 18707201
2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol
CID 107663415
2,5-dichloro-4-(2-methoxyphenyl)phenol
CID 107663290
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol?
The IUPAC name of 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol (CID 107663304) is 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol is CCOc1ccc(-c2cc(Cl)c(O)cc2Cl)cc1OCC.
What is the InChIKey of 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol?
The InChIKey is YCULPQDECUWTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-3-20-15-6-5-10(7-16(15)21-4-2)11-8-13(18)14(19)9-12(11)17/h5-9,19H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-4-(3,4-diethoxyphenyl)phenol?
2,5-dichloro-4-(3,4-diethoxyphenyl)phenol has a molecular weight of 327.21 g/mol, XLogP of 5.16, 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-(3,4-diethoxyphenyl)phenol is sourced from PubChem (CID 107663304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).