2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol

C22H22O3 — CID 174457706

IUPAC2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cccc(Oc3ccc(CO)cc3)c2)cc1
InChIInChI=1S/C22H22O3/c1-22(2,24)19-10-8-17(9-11-19)18-4-3-5-21(14-18)25-20-12-6-16(15-23)7-13-20/h3-14,23-24H,15H2,1-2H3
InChIKeyJWTZAWCDROMVGT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.87
Rot. Bonds5

About 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol

2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol (PubChem CID 174457706) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol
PubChem CID174457706
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cccc(Oc3ccc(CO)cc3)c2)cc1
InChIInChI=1S/C22H22O3/c1-22(2,24)19-10-8-17(9-11-19)18-4-3-5-21(14-18)25-20-12-6-16(15-23)7-13-20/h3-14,23-24H,15H2,1-2H3
InChIKeyJWTZAWCDROMVGT-UHFFFAOYSA-N
XLogP4.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol (CID 174457706) is 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2cccc(Oc3ccc(CO)cc3)c2)cc1.
What is the InChIKey of 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol?
The InChIKey is JWTZAWCDROMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-22(2,24)19-10-8-17(9-11-19)18-4-3-5-21(14-18)25-20-12-6-16(15-23)7-13-20/h3-14,23-24H,15H2,1-2H3.
What are the key properties of 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol?
2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol has a molecular weight of 334.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 174457706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).