[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol

C24H26O3 — CID 135360767

IUPAC[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol
SMILESCOc1ccc(COCc2cccc(-c3cccc(CO)c3C)c2C)cc1
InChIInChI=1S/C24H26O3/c1-17-20(14-25)6-4-8-23(17)24-9-5-7-21(18(24)2)16-27-15-19-10-12-22(26-3)13-11-19/h4-13,25H,14-16H2,1-3H3
InChIKeyIQMGMCZKJAVJKP-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.19
Rot. Bonds7

About [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol

[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol (PubChem CID 135360767) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol
PubChem CID135360767
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol
SMILESCOc1ccc(COCc2cccc(-c3cccc(CO)c3C)c2C)cc1
InChIInChI=1S/C24H26O3/c1-17-20(14-25)6-4-8-23(17)24-9-5-7-21(18(24)2)16-27-15-19-10-12-22(26-3)13-11-19/h4-13,25H,14-16H2,1-3H3
InChIKeyIQMGMCZKJAVJKP-UHFFFAOYSA-N
XLogP5.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol?
The IUPAC name of [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol (CID 135360767) is [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol.
What is the SMILES notation for [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol?
The canonical SMILES for [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol is COc1ccc(COCc2cccc(-c3cccc(CO)c3C)c2C)cc1.
What is the InChIKey of [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol?
The InChIKey is IQMGMCZKJAVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-17-20(14-25)6-4-8-23(17)24-9-5-7-21(18(24)2)16-27-15-19-10-12-22(26-3)13-11-19/h4-13,25H,14-16H2,1-3H3.
What are the key properties of [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol?
[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol has a molecular weight of 362.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methanol is sourced from PubChem (CID 135360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).