4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol

C18H22O4 — CID 20548958

IUPAC4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
SMILESCC(CCOc1ccc(O)cc1)CCOc1ccc(O)cc1
InChIInChI=1S/C18H22O4/c1-14(10-12-21-17-6-2-15(19)3-7-17)11-13-22-18-8-4-16(20)5-9-18/h2-9,14,19-20H,10-13H2,1H3
InChIKeyKJKWPVVKMXMMMC-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.97
Rot. Bonds8

About 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol

4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol (PubChem CID 20548958) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
PubChem CID20548958
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
SMILESCC(CCOc1ccc(O)cc1)CCOc1ccc(O)cc1
InChIInChI=1S/C18H22O4/c1-14(10-12-21-17-6-2-15(19)3-7-17)11-13-22-18-8-4-16(20)5-9-18/h2-9,14,19-20H,10-13H2,1H3
InChIKeyKJKWPVVKMXMMMC-UHFFFAOYSA-N
XLogP3.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methyldecoxy)phenol
CID 14495583
4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenol
CID 177434524
[4-(4-hydroxyphenoxy)carbonylphenyl] 4-[(3S)-3,7-dimethyloctoxy]benzoate
CID 138718417
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
8-(4-hydroxyphenoxy)-2-methyloctanoic acid
CID 10220978
4-octadecoxyphenol
CID 22179059
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
trimethyl-[3-[4-(3-trimethylphosphaniumylpropoxy)phenoxy]propyl]phosphanium
CID 132502739

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol (CID 20548958) is 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol is CC(CCOc1ccc(O)cc1)CCOc1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol?
The InChIKey is KJKWPVVKMXMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-14(10-12-21-17-6-2-15(19)3-7-17)11-13-22-18-8-4-16(20)5-9-18/h2-9,14,19-20H,10-13H2,1H3.
What are the key properties of 4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol?
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol has a molecular weight of 302.37 g/mol, XLogP of 3.97, 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)-3-methylpentoxy]phenol is sourced from PubChem (CID 20548958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).