4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol

C20H26O2 — CID 118338638

IUPAC4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
SMILESCCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C20H26O2/c1-4-5-14-20(15(2)3,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,15,21-22H,4-5,14H2,1-3H3
InChIKeyJXQYGLPTKXTIQD-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.23
Rot. Bonds6

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

4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol (PubChem CID 118338638) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
PubChem CID118338638
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
SMILESCCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C20H26O2/c1-4-5-14-20(15(2)3,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,15,21-22H,4-5,14H2,1-3H3
InChIKeyJXQYGLPTKXTIQD-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-(5,6-dibutylhexadecan-5-yl)phenol
CID 174616529
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
CID 142671500
4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
CID 159320188
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
4-(2,3,4-trimethylhexan-3-yl)phenol
CID 91753334
2-benzyl-2-(4-hydroxyphenyl)hexanamide
CID 70049047
2-(4-hydroxyphenyl)-2-methoxyhexanamide
CID 91014466
4-[1,1,1-tris(4-hydroxyphenyl)heptan-2-yl]phenol
CID 19027394
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
4-(2-phenyloctan-2-yl)phenol
CID 174541966

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol (CID 118338638) is 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol is CCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(C)C.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol?
The InChIKey is JXQYGLPTKXTIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-5-14-20(15(2)3,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,15,21-22H,4-5,14H2,1-3H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol?
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol is sourced from PubChem (CID 118338638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).