4-[6-(4-hydroxyphenyl)octan-2-yl]phenol

C20H26O2 — CID 23550616

IUPAC4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
SMILESCCC(CCCC(C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-3-16(18-9-13-20(22)14-10-18)6-4-5-15(2)17-7-11-19(21)12-8-17/h7-16,21-22H,3-6H2,1-2H3
InChIKeyKDXUGBZJOWFFCA-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.57
Rot. Bonds7

About 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol

4-[6-(4-hydroxyphenyl)octan-2-yl]phenol (PubChem CID 23550616) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
PubChem CID23550616
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
SMILESCCC(CCCC(C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-3-16(18-9-13-20(22)14-10-18)6-4-5-15(2)17-7-11-19(21)12-8-17/h7-16,21-22H,3-6H2,1-2H3
InChIKeyKDXUGBZJOWFFCA-UHFFFAOYSA-N
XLogP5.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
CID 160819739
4-hexan-2-ylphenol
CID 12579179
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
4-dodecan-3-ylphenol
CID 12820022
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
4-(8-hydroxynonan-2-yl)phenol
CID 102003793
2-(anthracen-9-ylmethyl)-4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 20615536
4-undecan-6-ylphenol
CID 66867197
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
2-cyclohexylpropan-2-yl 2-[4-[6-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetate
CID 126747371
4-hexadecan-7-ylphenol
CID 71320883
4-(1-ethoxybutan-2-yl)phenol
CID 89112859

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol (CID 23550616) is 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol is CCC(CCCC(C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol?
The InChIKey is KDXUGBZJOWFFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-16(18-9-13-20(22)14-10-18)6-4-5-15(2)17-7-11-19(21)12-8-17/h7-16,21-22H,3-6H2,1-2H3.
What are the key properties of 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol?
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)octan-2-yl]phenol is sourced from PubChem (CID 23550616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).