4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol

C24H34O — CID 175217725

IUPAC4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
SMILESCC(C)c1cc(-c2ccc(O)cc2)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C24H34O/c1-14(2)20-13-21(18-9-11-19(25)12-10-18)23(16(5)6)24(17(7)8)22(20)15(3)4/h9-17,25H,1-8H3
InChIKeyHXVJBTXRRLWBJA-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.55
Rot. Bonds5

About 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol

4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol (PubChem CID 175217725) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
PubChem CID175217725
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
SMILESCC(C)c1cc(-c2ccc(O)cc2)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C24H34O/c1-14(2)20-13-21(18-9-11-19(25)12-10-18)23(16(5)6)24(17(7)8)22(20)15(3)4/h9-17,25H,1-8H3
InChIKeyHXVJBTXRRLWBJA-UHFFFAOYSA-N
XLogP7.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol?
The IUPAC name of 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol (CID 175217725) is 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol.
What is the SMILES notation for 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol?
The canonical SMILES for 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol is CC(C)c1cc(-c2ccc(O)cc2)c(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol?
The InChIKey is HXVJBTXRRLWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-14(2)20-13-21(18-9-11-19(25)12-10-18)23(16(5)6)24(17(7)8)22(20)15(3)4/h9-17,25H,1-8H3.
What are the key properties of 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol?
4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol has a molecular weight of 338.54 g/mol, XLogP of 7.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol is sourced from PubChem (CID 175217725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).