2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol

C36H40O4 — CID 126691896

IUPAC2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)c(C(C)(C)c4ccc(O)cc4)c3)ccc2O1
InChIInChI=1S/C36H40O4/c1-33(2)22-36(7,24-10-16-28(38)17-11-24)30-21-26(13-19-32(30)40-33)34(3,4)25-12-18-31(39)29(20-25)35(5,6)23-8-14-27(37)15-9-23/h8-21,37-39H,22H2,1-7H3
InChIKeyDXPDXYUAKSNMFA-UHFFFAOYSA-N
MW536.71 g/mol
LogP8.32
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol

2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol (PubChem CID 126691896) has the molecular formula C36H40O4 and a molecular weight of 536.71 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol
PubChem CID126691896
Molecular FormulaC36H40O4
Molecular Weight536.71 g/mol
Exact Mass536.29
IUPAC Name2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)c(C(C)(C)c4ccc(O)cc4)c3)ccc2O1
InChIInChI=1S/C36H40O4/c1-33(2)22-36(7,24-10-16-28(38)17-11-24)30-21-26(13-19-32(30)40-33)34(3,4)25-12-18-31(39)29(20-25)35(5,6)23-8-14-27(37)15-9-23/h8-21,37-39H,22H2,1-7H3
InChIKeyDXPDXYUAKSNMFA-UHFFFAOYSA-N
XLogP8.32
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 58.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol (CID 126691896) is 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol is CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)c(C(C)(C)c4ccc(O)cc4)c3)ccc2O1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol?
The InChIKey is DXPDXYUAKSNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40O4/c1-33(2)22-36(7,24-10-16-28(38)17-11-24)30-21-26(13-19-32(30)40-33)34(3,4)25-12-18-31(39)29(20-25)35(5,6)23-8-14-27(37)15-9-23/h8-21,37-39H,22H2,1-7H3.
What are the key properties of 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol?
2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol has a molecular weight of 536.71 g/mol, XLogP of 8.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)propan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-2,2,4-trimethyl-3H-chromen-6-yl]propan-2-yl]phenol is sourced from PubChem (CID 126691896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).