4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol

C20H18O3 — CID 142421465

IUPAC4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
SMILESCOCc1cc(-c2ccc(O)cc2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C20H18O3/c1-23-13-17-12-16(14-2-7-18(21)8-3-14)6-11-20(17)15-4-9-19(22)10-5-15/h2-12,21-22H,13H2,1H3
InChIKeyKDKQIOWMNWZOFQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.58
Rot. Bonds4

About 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol

4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol (PubChem CID 142421465) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
PubChem CID142421465
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
SMILESCOCc1cc(-c2ccc(O)cc2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C20H18O3/c1-23-13-17-12-16(14-2-7-18(21)8-3-14)6-11-20(17)15-4-9-19(22)10-5-15/h2-12,21-22H,13H2,1H3
InChIKeyKDKQIOWMNWZOFQ-UHFFFAOYSA-N
XLogP4.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol (CID 142421465) is 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol is COCc1cc(-c2ccc(O)cc2)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol?
The InChIKey is KDKQIOWMNWZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-23-13-17-12-16(14-2-7-18(21)8-3-14)6-11-20(17)15-4-9-19(22)10-5-15/h2-12,21-22H,13H2,1H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol?
4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol has a molecular weight of 306.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol is sourced from PubChem (CID 142421465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).