2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol

C15H14Cl2O2 — CID 57252301

IUPAC2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CCCc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2O2/c16-12-8-10(4-6-14(12)18)2-1-3-11-5-7-15(19)13(17)9-11/h4-9,18-19H,1-3H2
InChIKeyYNDFUQMORIMVQC-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol

2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol (PubChem CID 57252301) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
PubChem CID57252301
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CCCc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2O2/c16-12-8-10(4-6-14(12)18)2-1-3-11-5-7-15(19)13(17)9-11/h4-9,18-19H,1-3H2
InChIKeyYNDFUQMORIMVQC-UHFFFAOYSA-N
XLogP4.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775
1-(3-chloro-4-hydroxyphenyl)pentan-3-one
CID 154645816
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-(nitrosomethyl)phenol
CID 123274158
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
2-chloro-4-[(4-phenylbutylamino)methyl]phenol
CID 142098932
4-(2-amino-2-methylpropyl)-2-chlorophenol
CID 12826919
2-(3-chloro-4-hydroxyphenyl)ethylazanium;2,2,2-trifluoroacetate
CID 68519971
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol (CID 57252301) is 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol is Oc1ccc(CCCc2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol?
The InChIKey is YNDFUQMORIMVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c16-12-8-10(4-6-14(12)18)2-1-3-11-5-7-15(19)13(17)9-11/h4-9,18-19H,1-3H2.
What are the key properties of 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol?
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol has a molecular weight of 297.18 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 57252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).