2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol

C29H28O4 — CID 139386945

IUPAC2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol
SMILESCC(C)(C)C(c1cccc(Oc2ccccc2)c1)c1cc(Oc2ccc(O)cc2)ccc1O
InChIInChI=1S/C29H28O4/c1-29(2,3)28(20-8-7-11-24(18-20)32-22-9-5-4-6-10-22)26-19-25(16-17-27(26)31)33-23-14-12-21(30)13-15-23/h4-19,28,30-31H,1-3H3
InChIKeyZJAFFZCTTXGGKC-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.86
Rot. Bonds6

About 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol

2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol (PubChem CID 139386945) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol
PubChem CID139386945
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol
SMILESCC(C)(C)C(c1cccc(Oc2ccccc2)c1)c1cc(Oc2ccc(O)cc2)ccc1O
InChIInChI=1S/C29H28O4/c1-29(2,3)28(20-8-7-11-24(18-20)32-22-9-5-4-6-10-22)26-19-25(16-17-27(26)31)33-23-14-12-21(30)13-15-23/h4-19,28,30-31H,1-3H3
InChIKeyZJAFFZCTTXGGKC-UHFFFAOYSA-N
XLogP7.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
4-(3-phenylphenoxy)-2-propan-2-ylphenol
CID 21466339
1-(3-phenoxyphenyl)ethanol
CID 12882419
2-methyl-4-phenoxyphenol
CID 23089676
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
2-[hydroxy-(3-phenoxyphenyl)methyl]-2-methylbutanenitrile
CID 79124896

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol?
The IUPAC name of 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol (CID 139386945) is 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol.
What is the SMILES notation for 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol?
The canonical SMILES for 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol is CC(C)(C)C(c1cccc(Oc2ccccc2)c1)c1cc(Oc2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol?
The InChIKey is ZJAFFZCTTXGGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-29(2,3)28(20-8-7-11-24(18-20)32-22-9-5-4-6-10-22)26-19-25(16-17-27(26)31)33-23-14-12-21(30)13-15-23/h4-19,28,30-31H,1-3H3.
What are the key properties of 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol?
2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol has a molecular weight of 440.54 g/mol, XLogP of 7.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol is sourced from PubChem (CID 139386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).