(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol

C16H18O3 — CID 61099011

IUPAC(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cccc(C)c2)c1
InChIInChI=1S/C16H18O3/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h4-10,16-17H,1-3H3
InChIKeyAMBQSOVGXSUCSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.09
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol

(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol (PubChem CID 61099011) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
PubChem CID61099011
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cccc(C)c2)c1
InChIInChI=1S/C16H18O3/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h4-10,16-17H,1-3H3
InChIKeyAMBQSOVGXSUCSV-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol (CID 61099011) is (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol is COc1ccc(OC)c(C(O)c2cccc(C)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol?
The InChIKey is AMBQSOVGXSUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-11-5-4-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h4-10,16-17H,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol?
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol has a molecular weight of 258.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-methylphenyl)methanol is sourced from PubChem (CID 61099011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).