4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol

C30H40O2 — CID 145399586

IUPAC4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(-c2cc([C@H](C)C3CC3)c(O)c([C@H](C)C3CC3)c2)cc([C@H](C)C2CC2)c1O
InChIInChI=1S/C30H40O2/c1-16(2)25-12-23(13-26(29(25)31)17(3)20-6-7-20)24-14-27(18(4)21-8-9-21)30(32)28(15-24)19(5)22-10-11-22/h12-22,31-32H,6-11H2,1-5H3/t17-,18-,19-/m1/s1
InChIKeyATTKUIXNCNOXAG-GUDVDZBRSA-N
MW432.65 g/mol
LogP8.43
Rot. Bonds8

About 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol

4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol (PubChem CID 145399586) has the molecular formula C30H40O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
PubChem CID145399586
Molecular FormulaC30H40O2
Molecular Weight432.65 g/mol
Exact Mass432.30
IUPAC Name4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(-c2cc([C@H](C)C3CC3)c(O)c([C@H](C)C3CC3)c2)cc([C@H](C)C2CC2)c1O
InChIInChI=1S/C30H40O2/c1-16(2)25-12-23(13-26(29(25)31)17(3)20-6-7-20)24-14-27(18(4)21-8-9-21)30(32)28(15-24)19(5)22-10-11-22/h12-22,31-32H,6-11H2,1-5H3/t17-,18-,19-/m1/s1
InChIKeyATTKUIXNCNOXAG-GUDVDZBRSA-N
XLogP8.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The IUPAC name of 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol (CID 145399586) is 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol.
What is the SMILES notation for 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The canonical SMILES for 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol is CC(C)c1cc(-c2cc([C@H](C)C3CC3)c(O)c([C@H](C)C3CC3)c2)cc([C@H](C)C2CC2)c1O.
What is the InChIKey of 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The InChIKey is ATTKUIXNCNOXAG-GUDVDZBRSA-N. The full InChI is InChI=1S/C30H40O2/c1-16(2)25-12-23(13-26(29(25)31)17(3)20-6-7-20)24-14-27(18(4)21-8-9-21)30(32)28(15-24)19(5)22-10-11-22/h12-22,31-32H,6-11H2,1-5H3/t17-,18-,19-/m1/s1.
What are the key properties of 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol has a molecular weight of 432.65 g/mol, XLogP of 8.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol is sourced from PubChem (CID 145399586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).