(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol

C18H22O3 — CID 106790887

IUPAC(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(C)ccc1C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22O3/c1-12(2)21-15-8-6-14(7-9-15)18(19)16-10-5-13(3)11-17(16)20-4/h5-12,18-19H,1-4H3
InChIKeyZFKYDQGDGYXHGX-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.87
Rot. Bonds5

About (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol

(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol (PubChem CID 106790887) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
PubChem CID106790887
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(C)ccc1C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22O3/c1-12(2)21-15-8-6-14(7-9-15)18(19)16-10-5-13(3)11-17(16)20-4/h5-12,18-19H,1-4H3
InChIKeyZFKYDQGDGYXHGX-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol (CID 106790887) is (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol is COc1cc(C)ccc1C(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is ZFKYDQGDGYXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-12(2)21-15-8-6-14(7-9-15)18(19)16-10-5-13(3)11-17(16)20-4/h5-12,18-19H,1-4H3.
What are the key properties of (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol?
(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 286.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 106790887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).