4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol

C19H24O3 — CID 143325760

IUPAC4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol
SMILESCCC(C)(Oc1ccc(C(C)(C)O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-5-19(4,15-6-10-16(20)11-7-15)22-17-12-8-14(9-13-17)18(2,3)21/h6-13,20-21H,5H2,1-4H3
InChIKeySLNRAQXVYZMVQY-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.32
Rot. Bonds5

About 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol

4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol (PubChem CID 143325760) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol
PubChem CID143325760
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol
SMILESCCC(C)(Oc1ccc(C(C)(C)O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-5-19(4,15-6-10-16(20)11-7-15)22-17-12-8-14(9-13-17)18(2,3)21/h6-13,20-21H,5H2,1-4H3
InChIKeySLNRAQXVYZMVQY-UHFFFAOYSA-N
XLogP4.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol?
The IUPAC name of 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol (CID 143325760) is 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol is CCC(C)(Oc1ccc(C(C)(C)O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol?
The InChIKey is SLNRAQXVYZMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-5-19(4,15-6-10-16(20)11-7-15)22-17-12-8-14(9-13-17)18(2,3)21/h6-13,20-21H,5H2,1-4H3.
What are the key properties of 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol?
4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol has a molecular weight of 300.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]phenol is sourced from PubChem (CID 143325760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).