2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol

C18H17Cl3O2 — CID 21161611

IUPAC2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(Cl)c3Cl)CCCCC2)cc1Cl
InChIInChI=1S/C18H17Cl3O2/c19-13-10-11(4-6-14(13)22)18(8-2-1-3-9-18)12-5-7-15(23)17(21)16(12)20/h4-7,10,22-23H,1-3,8-9H2
InChIKeyACOFKBDEOOJUKD-UHFFFAOYSA-N
MW371.69 g/mol
LogP6.31
Rot. Bonds2

About 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol

2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 21161611) has the molecular formula C18H17Cl3O2 and a molecular weight of 371.69 g/mol. Its IUPAC name is 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID21161611
Molecular FormulaC18H17Cl3O2
Molecular Weight371.69 g/mol
Exact Mass370.03
IUPAC Name2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(Cl)c3Cl)CCCCC2)cc1Cl
InChIInChI=1S/C18H17Cl3O2/c19-13-10-11(4-6-14(13)22)18(8-2-1-3-9-18)12-5-7-15(23)17(21)16(12)20/h4-7,10,22-23H,1-3,8-9H2
InChIKeyACOFKBDEOOJUKD-UHFFFAOYSA-N
XLogP6.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6619
CID 6619
CID 7074
CID 7074
CID 66238
CID 66238
CID 177880
CID 177880
CID 177947
CID 177947
CID 119346
CID 119346
CID 28396
CID 28396
CID 644180
CID 644180
CID 6453821
CID 6453821
CID 70820
CID 70820
CID 186979
CID 186979
CID 3019069
CID 3019069

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol (CID 21161611) is 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol is Oc1ccc(C2(c3ccc(O)c(Cl)c3Cl)CCCCC2)cc1Cl.
What is the InChIKey of 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is ACOFKBDEOOJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3O2/c19-13-10-11(4-6-14(13)22)18(8-2-1-3-9-18)12-5-7-15(23)17(21)16(12)20/h4-7,10,22-23H,1-3,8-9H2.
What are the key properties of 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol?
2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 371.69 g/mol, XLogP of 6.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 21161611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).