4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol

C19H22O5 — CID 56682952

IUPAC4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
SMILESCOC(c1ccc(O)cc1)C1COC(c2ccc(O)cc2)C1CO
InChIInChI=1S/C19H22O5/c1-23-18(12-2-6-14(21)7-3-12)17-11-24-19(16(17)10-20)13-4-8-15(22)9-5-13/h2-9,16-22H,10-11H2,1H3
InChIKeyHPAZDJQKSZTHER-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.78
Rot. Bonds5

About 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol

4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol (PubChem CID 56682952) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
PubChem CID56682952
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
SMILESCOC(c1ccc(O)cc1)C1COC(c2ccc(O)cc2)C1CO
InChIInChI=1S/C19H22O5/c1-23-18(12-2-6-14(21)7-3-12)17-11-24-19(16(17)10-20)13-4-8-15(22)9-5-13/h2-9,16-22H,10-11H2,1H3
InChIKeyHPAZDJQKSZTHER-UHFFFAOYSA-N
XLogP2.78
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol?
The IUPAC name of 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol (CID 56682952) is 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol.
What is the SMILES notation for 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol?
The canonical SMILES for 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol is COC(c1ccc(O)cc1)C1COC(c2ccc(O)cc2)C1CO.
What is the InChIKey of 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol?
The InChIKey is HPAZDJQKSZTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-23-18(12-2-6-14(21)7-3-12)17-11-24-19(16(17)10-20)13-4-8-15(22)9-5-13/h2-9,16-22H,10-11H2,1H3.
What are the key properties of 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol?
4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol has a molecular weight of 330.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol is sourced from PubChem (CID 56682952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).