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

C31H32O3 — CID 172743360

IUPAC4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol
SMILESCC(c1ccc(C(Cc2ccc(O)cc2)c2ccc(O)cc2)cc1)C(C)(C)c1ccc(O)cc1
InChIInChI=1S/C31H32O3/c1-21(31(2,3)26-12-18-29(34)19-13-26)23-6-8-24(9-7-23)30(25-10-16-28(33)17-11-25)20-22-4-14-27(32)15-5-22/h4-19,21,30,32-34H,20H2,1-3H3
InChIKeyJJVHNBRGTIWSKE-UHFFFAOYSA-N
MW452.59 g/mol
LogP7.26
Rot. Bonds7

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

4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol (PubChem CID 172743360) has the molecular formula C31H32O3 and a molecular weight of 452.59 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol
PubChem CID172743360
Molecular FormulaC31H32O3
Molecular Weight452.59 g/mol
Exact Mass452.24
IUPAC Name4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol
SMILESCC(c1ccc(C(Cc2ccc(O)cc2)c2ccc(O)cc2)cc1)C(C)(C)c1ccc(O)cc1
InChIInChI=1S/C31H32O3/c1-21(31(2,3)26-12-18-29(34)19-13-26)23-6-8-24(9-7-23)30(25-10-16-28(33)17-11-25)20-22-4-14-27(32)15-5-22/h4-19,21,30,32-34H,20H2,1-3H3
InChIKeyJJVHNBRGTIWSKE-UHFFFAOYSA-N
XLogP7.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.59
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[3-chloro-3-(4-hydroxyphenyl)butan-2-yl]phenol
CID 22623403
4-(2-methyl-3-sulfanylbutan-2-yl)phenol
CID 115020824
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol
CID 67709953
4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
CID 173221736
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)
CID 159519915
4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867219
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
CID 163467451

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol (CID 172743360) is 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol is CC(c1ccc(C(Cc2ccc(O)cc2)c2ccc(O)cc2)cc1)C(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol?
The InChIKey is JJVHNBRGTIWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O3/c1-21(31(2,3)26-12-18-29(34)19-13-26)23-6-8-24(9-7-23)30(25-10-16-28(33)17-11-25)20-22-4-14-27(32)15-5-22/h4-19,21,30,32-34H,20H2,1-3H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol?
4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol has a molecular weight of 452.59 g/mol, XLogP of 7.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol is sourced from PubChem (CID 172743360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).