4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol

C34H40O4 — CID 159320188

IUPAC4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(C)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/2C17H20O2/c1-12(2)17(3,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14;1-3-12-17(2,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,18-19H,1-3H3;4-11,18-19H,3,12H2,1-2H3
InChIKeyLDQVSJZIYWGFGN-UHFFFAOYSA-N
MW512.69 g/mol
LogP8.26
Rot. Bonds7

About 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol

4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol (PubChem CID 159320188) has the molecular formula C34H40O4 and a molecular weight of 512.69 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
PubChem CID159320188
Molecular FormulaC34H40O4
Molecular Weight512.69 g/mol
Exact Mass512.29
IUPAC Name4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(C)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/2C17H20O2/c1-12(2)17(3,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14;1-3-12-17(2,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,18-19H,1-3H3;4-11,18-19H,3,12H2,1-2H3
InChIKeyLDQVSJZIYWGFGN-UHFFFAOYSA-N
XLogP8.26
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
CID 139838357
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
CID 118338638
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4-[5-bromo-2-(4-hydroxyphenyl)pentan-2-yl]phenol
CID 86043574
4-(2,3,4-trimethylhexan-3-yl)phenol
CID 91753334
4-[3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butan-2-yl]phenol
CID 59416712
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-(3-ethyl-3-methylhexan-2-yl)phenol
CID 91753385
4-(2,3,5-trimethylheptan-3-yl)phenol
CID 102065619
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol (CID 159320188) is 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol is CC(C)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol?
The InChIKey is LDQVSJZIYWGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20O2/c1-12(2)17(3,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14;1-3-12-17(2,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,18-19H,1-3H3;4-11,18-19H,3,12H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol?
4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol has a molecular weight of 512.69 g/mol, XLogP of 8.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol is sourced from PubChem (CID 159320188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).