4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol

C15H15ClO3 — CID 117244973

IUPAC4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3/c16-13-3-1-11(2-4-13)12(9-17)10-19-15-7-5-14(18)6-8-15/h1-8,12,17-18H,9-10H2
InChIKeyCZCYAXDZGPPRFE-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.20
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol

4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol (PubChem CID 117244973) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
PubChem CID117244973
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3/c16-13-3-1-11(2-4-13)12(9-17)10-19-15-7-5-14(18)6-8-15/h1-8,12,17-18H,9-10H2
InChIKeyCZCYAXDZGPPRFE-UHFFFAOYSA-N
XLogP3.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
1-chloro-4-(2,2-dichloroethoxy)benzene
CID 143327001
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
CID 54910973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol (CID 117244973) is 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol is OCC(COc1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol?
The InChIKey is CZCYAXDZGPPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c16-13-3-1-11(2-4-13)12(9-17)10-19-15-7-5-14(18)6-8-15/h1-8,12,17-18H,9-10H2.
What are the key properties of 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol?
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol has a molecular weight of 278.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol is sourced from PubChem (CID 117244973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).