3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol

C27H24O4 — CID 139938730

IUPAC3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
SMILESCC(C)(c1ccccc1)c1cc(Oc2cccc(O)c2)ccc1Oc1cccc(O)c1
InChIInChI=1S/C27H24O4/c1-27(2,19-8-4-3-5-9-19)25-18-24(30-22-12-6-10-20(28)16-22)14-15-26(25)31-23-13-7-11-21(29)17-23/h3-18,28-29H,1-2H3
InChIKeyRUXCSYXVPSSLQT-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.01
Rot. Bonds6

About 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol

3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol (PubChem CID 139938730) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol.

Molecular Properties

Compound Name3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
PubChem CID139938730
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
SMILESCC(C)(c1ccccc1)c1cc(Oc2cccc(O)c2)ccc1Oc1cccc(O)c1
InChIInChI=1S/C27H24O4/c1-27(2,19-8-4-3-5-9-19)25-18-24(30-22-12-6-10-20(28)16-22)14-15-26(25)31-23-13-7-11-21(29)17-23/h3-18,28-29H,1-2H3
InChIKeyRUXCSYXVPSSLQT-UHFFFAOYSA-N
XLogP7.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
bis[4-[2-[4-(4-aminophenoxy)-2-phenoxyphenyl]propan-2-yl]phenyl]methanone
CID 67683223
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
CID 19885717
2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid
CID 12917672
[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 58388390
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
3-(2-methylquinolin-4-yl)oxyphenol
CID 60871458

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol?
The IUPAC name of 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol (CID 139938730) is 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol.
What is the SMILES notation for 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol?
The canonical SMILES for 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol is CC(C)(c1ccccc1)c1cc(Oc2cccc(O)c2)ccc1Oc1cccc(O)c1.
What is the InChIKey of 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol?
The InChIKey is RUXCSYXVPSSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c1-27(2,19-8-4-3-5-9-19)25-18-24(30-22-12-6-10-20(28)16-22)14-15-26(25)31-23-13-7-11-21(29)17-23/h3-18,28-29H,1-2H3.
What are the key properties of 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol?
3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol has a molecular weight of 412.49 g/mol, XLogP of 7.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol is sourced from PubChem (CID 139938730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).