4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol

C20H26O2 — CID 6827

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IUPAC4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)C(C)c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKeyDUTFBSAKKUNBAL-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.42
Rot. Bonds6

About 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol

4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol (PubChem CID 6827) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol.

Molecular Properties

Compound Name4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
PubChem CID6827
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)C(C)c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKeyDUTFBSAKKUNBAL-UHFFFAOYSA-N
XLogP5.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol?
The IUPAC name of 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol (CID 6827) is 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol.
What is the SMILES notation for 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol?
The canonical SMILES for 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol is CCC(c1ccc(O)cc1)C(CC)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol?
The InChIKey is DUTFBSAKKUNBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3.
What are the key properties of 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol?
4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol is sourced from PubChem (CID 6827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).