3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol

C24H34O3 — CID 123802467

IUPAC3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol
SMILESCCC(C)(CC)Oc1ccc(-c2cc(O)cc(OC(C)(CC)CC)c2)cc1
InChIInChI=1S/C24H34O3/c1-7-23(5,8-2)26-21-13-11-18(12-14-21)19-15-20(25)17-22(16-19)27-24(6,9-3)10-4/h11-17,25H,7-10H2,1-6H3
InChIKeyUIDWSAVWMKLJDX-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.97
Rot. Bonds9

About 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol

3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol (PubChem CID 123802467) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol.

Molecular Properties

Compound Name3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol
PubChem CID123802467
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol
SMILESCCC(C)(CC)Oc1ccc(-c2cc(O)cc(OC(C)(CC)CC)c2)cc1
InChIInChI=1S/C24H34O3/c1-7-23(5,8-2)26-21-13-11-18(12-14-21)19-15-20(25)17-22(16-19)27-24(6,9-3)10-4/h11-17,25H,7-10H2,1-6H3
InChIKeyUIDWSAVWMKLJDX-UHFFFAOYSA-N
XLogP6.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol?
The IUPAC name of 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol (CID 123802467) is 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol.
What is the SMILES notation for 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol?
The canonical SMILES for 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol is CCC(C)(CC)Oc1ccc(-c2cc(O)cc(OC(C)(CC)CC)c2)cc1.
What is the InChIKey of 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol?
The InChIKey is UIDWSAVWMKLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-7-23(5,8-2)26-21-13-11-18(12-14-21)19-15-20(25)17-22(16-19)27-24(6,9-3)10-4/h11-17,25H,7-10H2,1-6H3.
What are the key properties of 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol?
3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol has a molecular weight of 370.53 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol is sourced from PubChem (CID 123802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).