4-(4-ethyl-2-hydroxyhexan-2-yl)phenol

C14H22O2 — CID 83075145

IUPAC4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
SMILESCCC(CC)CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)10-14(3,16)12-6-8-13(15)9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeySBFQGZTYOBKZNW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.43
Rot. Bonds5

About 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol

4-(4-ethyl-2-hydroxyhexan-2-yl)phenol (PubChem CID 83075145) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
PubChem CID83075145
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
SMILESCCC(CC)CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)10-14(3,16)12-6-8-13(15)9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeySBFQGZTYOBKZNW-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-(2,3,5-trimethylheptan-3-yl)phenol
CID 102065619
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
4-(2,3,4-trimethylhexan-3-yl)phenol
CID 91753334
4-(2-methyl-3-sulfanylbutan-2-yl)phenol
CID 115020824
4-tert-butylphenol;nickel
CID 162056786
4-tert-butylphenol;cobalt
CID 174380967
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol?
The IUPAC name of 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol (CID 83075145) is 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol.
What is the SMILES notation for 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol?
The canonical SMILES for 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol is CCC(CC)CC(C)(O)c1ccc(O)cc1.
What is the InChIKey of 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol?
The InChIKey is SBFQGZTYOBKZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-11(5-2)10-14(3,16)12-6-8-13(15)9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3.
What are the key properties of 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol?
4-(4-ethyl-2-hydroxyhexan-2-yl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-hydroxyhexan-2-yl)phenol is sourced from PubChem (CID 83075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).