4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol

C18H22O3 — CID 176549598

IUPAC4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22O3/c1-2-3-4-13-18(21,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-21H,2-4,13H2,1H3
InChIKeySBFFNOWTGJOSMZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.91
Rot. Bonds6

About 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol

4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol (PubChem CID 176549598) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
PubChem CID176549598
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22O3/c1-2-3-4-13-18(21,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-21H,2-4,13H2,1H3
InChIKeySBFFNOWTGJOSMZ-UHFFFAOYSA-N
XLogP3.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
CID 142671500
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
4-[1,1,1,2,2,3-hexafluoro-3,5-bis(4-hydroxyphenyl)decan-5-yl]phenol
CID 118156756
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
CID 2196857
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
CID 118338638
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
CID 83075145

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol?
The IUPAC name of 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol (CID 176549598) is 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol?
The canonical SMILES for 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol is CCCCCC(O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol?
The InChIKey is SBFFNOWTGJOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-3-4-13-18(21,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-21H,2-4,13H2,1H3.
What are the key properties of 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol?
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol has a molecular weight of 286.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol is sourced from PubChem (CID 176549598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).