2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol

C28H34O3 — CID 178165672

IUPAC2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(C(c2cc(C(C)C)ccc2O)c2cc(C(C)C)ccc2O)c1
InChIInChI=1S/C28H34O3/c1-16(2)19-7-10-25(29)22(13-19)28(23-14-20(17(3)4)8-11-26(23)30)24-15-21(18(5)6)9-12-27(24)31/h7-18,28-31H,1-6H3
InChIKeyMARUFWURXRSUHV-UHFFFAOYSA-N
MW418.58 g/mol
LogP7.35
Rot. Bonds6

About 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol

2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol (PubChem CID 178165672) has the molecular formula C28H34O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
PubChem CID178165672
Molecular FormulaC28H34O3
Molecular Weight418.58 g/mol
Exact Mass418.25
IUPAC Name2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(C(c2cc(C(C)C)ccc2O)c2cc(C(C)C)ccc2O)c1
InChIInChI=1S/C28H34O3/c1-16(2)19-7-10-25(29)22(13-19)28(23-14-20(17(3)4)8-11-26(23)30)24-15-21(18(5)6)9-12-27(24)31/h7-18,28-31H,1-6H3
InChIKeyMARUFWURXRSUHV-UHFFFAOYSA-N
XLogP7.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,4-di(propan-2-yl)phenol
CID 18048
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790
5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
2-chloro-5-propan-2-ylphenol
CID 59596487
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol?
The IUPAC name of 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol (CID 178165672) is 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol is CC(C)c1ccc(O)c(C(c2cc(C(C)C)ccc2O)c2cc(C(C)C)ccc2O)c1.
What is the InChIKey of 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol?
The InChIKey is MARUFWURXRSUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3/c1-16(2)19-7-10-25(29)22(13-19)28(23-14-20(17(3)4)8-11-26(23)30)24-15-21(18(5)6)9-12-27(24)31/h7-18,28-31H,1-6H3.
What are the key properties of 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol?
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol has a molecular weight of 418.58 g/mol, XLogP of 7.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 178165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).