4-[5-(4-hydroxyphenoxy)pentoxy]phenol

C17H20O4 — CID 20548963

IUPAC4-[5-(4-hydroxyphenoxy)pentoxy]phenol
SMILESOc1ccc(OCCCCCOc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O4/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11,18-19H,1-3,12-13H2
InChIKeyCVFFLNSOIOGOFJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.73
Rot. Bonds8

About 4-[5-(4-hydroxyphenoxy)pentoxy]phenol

4-[5-(4-hydroxyphenoxy)pentoxy]phenol (PubChem CID 20548963) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenoxy)pentoxy]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenoxy)pentoxy]phenol
PubChem CID20548963
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4-[5-(4-hydroxyphenoxy)pentoxy]phenol
SMILESOc1ccc(OCCCCCOc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O4/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11,18-19H,1-3,12-13H2
InChIKeyCVFFLNSOIOGOFJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-octadecoxyphenol
CID 22179059
4-oct-7-ynoxyphenol
CID 166068897
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenoxy)pentoxy]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenoxy)pentoxy]phenol (CID 20548963) is 4-[5-(4-hydroxyphenoxy)pentoxy]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenoxy)pentoxy]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenoxy)pentoxy]phenol is Oc1ccc(OCCCCCOc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenoxy)pentoxy]phenol?
The InChIKey is CVFFLNSOIOGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11,18-19H,1-3,12-13H2.
What are the key properties of 4-[5-(4-hydroxyphenoxy)pentoxy]phenol?
4-[5-(4-hydroxyphenoxy)pentoxy]phenol has a molecular weight of 288.34 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenoxy)pentoxy]phenol is sourced from PubChem (CID 20548963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).