4-[4-(1-hydroxyhexoxy)phenyl]phenol

C18H22O3 — CID 22712995

IUPAC4-[4-(1-hydroxyhexoxy)phenyl]phenol
SMILESCCCCCC(O)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O3/c1-2-3-4-5-18(20)21-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13,18-20H,2-5H2,1H3
InChIKeyQGWBAXMWUGEIMY-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.34
Rot. Bonds7

About 4-[4-(1-hydroxyhexoxy)phenyl]phenol

4-[4-(1-hydroxyhexoxy)phenyl]phenol (PubChem CID 22712995) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[4-(1-hydroxyhexoxy)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(1-hydroxyhexoxy)phenyl]phenol
PubChem CID22712995
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[4-(1-hydroxyhexoxy)phenyl]phenol
SMILESCCCCCC(O)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O3/c1-2-3-4-5-18(20)21-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13,18-20H,2-5H2,1H3
InChIKeyQGWBAXMWUGEIMY-UHFFFAOYSA-N
XLogP4.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylphenyl)phenoxy]decan-1-ol
CID 175704689
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
1-phenoxyhexadecan-1-ol
CID 140512988
4-octan-3-yloxyphenol
CID 54268247
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
4-(1-hydroxyundecoxy)benzamide
CID 67763427
1-(4-octylphenoxy)pentane-1,5-diol
CID 67675377
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
4-(1,1,1-triethoxydecan-2-yloxy)phenol
CID 150429547
4-(1-hydroxytridecyl)phenol
CID 57120972
1-(4-chlorophenoxy)butan-1-ol
CID 23332143

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyhexoxy)phenyl]phenol?
The IUPAC name of 4-[4-(1-hydroxyhexoxy)phenyl]phenol (CID 22712995) is 4-[4-(1-hydroxyhexoxy)phenyl]phenol.
What is the SMILES notation for 4-[4-(1-hydroxyhexoxy)phenyl]phenol?
The canonical SMILES for 4-[4-(1-hydroxyhexoxy)phenyl]phenol is CCCCCC(O)Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(1-hydroxyhexoxy)phenyl]phenol?
The InChIKey is QGWBAXMWUGEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-3-4-5-18(20)21-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13,18-20H,2-5H2,1H3.
What are the key properties of 4-[4-(1-hydroxyhexoxy)phenyl]phenol?
4-[4-(1-hydroxyhexoxy)phenyl]phenol has a molecular weight of 286.37 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyhexoxy)phenyl]phenol is sourced from PubChem (CID 22712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).