3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol

C15H13Cl3O2 — CID 101118969

IUPAC3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2c(Cl)cc(O)cc2Cl)c1Cl
InChIInChI=1S/C15H13Cl3O2/c1-20-14-4-2-3-9(15(14)18)5-6-11-12(16)7-10(19)8-13(11)17/h2-4,7-8,19H,5-6H2,1H3
InChIKeyJHNFRGFBNRWUIG-UHFFFAOYSA-N
MW331.63 g/mol
LogP5.15
Rot. Bonds4

About 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol

3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol (PubChem CID 101118969) has the molecular formula C15H13Cl3O2 and a molecular weight of 331.63 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
PubChem CID101118969
Molecular FormulaC15H13Cl3O2
Molecular Weight331.63 g/mol
Exact Mass330.00
IUPAC Name3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2c(Cl)cc(O)cc2Cl)c1Cl
InChIInChI=1S/C15H13Cl3O2/c1-20-14-4-2-3-9(15(14)18)5-6-11-12(16)7-10(19)8-13(11)17/h2-4,7-8,19H,5-6H2,1H3
InChIKeyJHNFRGFBNRWUIG-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
CID 10686994
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
3,5-dichloro-4-(2-phenylethyl)phenol
CID 67216100
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 138032849
2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171373977
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 45051382
ethane;2-methoxy-6-propylphenol
CID 142869062
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol?
The IUPAC name of 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol (CID 101118969) is 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol is COc1cccc(CCc2c(Cl)cc(O)cc2Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol?
The InChIKey is JHNFRGFBNRWUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O2/c1-20-14-4-2-3-9(15(14)18)5-6-11-12(16)7-10(19)8-13(11)17/h2-4,7-8,19H,5-6H2,1H3.
What are the key properties of 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol?
3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol has a molecular weight of 331.63 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 101118969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).