(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol

C18H22O3 — CID 61087943

IUPAC(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H22O3/c1-4-5-13-6-8-14(9-7-13)18(19)16-11-10-15(20-2)12-17(16)21-3/h6-12,18-19H,4-5H2,1-3H3
InChIKeyRXGFNYKDHPGNGX-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.74
Rot. Bonds6

About (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol

(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol (PubChem CID 61087943) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
PubChem CID61087943
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H22O3/c1-4-5-13-6-8-14(9-7-13)18(19)16-11-10-15(20-2)12-17(16)21-3/h6-12,18-19H,4-5H2,1-3H3
InChIKeyRXGFNYKDHPGNGX-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol (CID 61087943) is (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol?
The InChIKey is RXGFNYKDHPGNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-5-13-6-8-14(9-7-13)18(19)16-11-10-15(20-2)12-17(16)21-3/h6-12,18-19H,4-5H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol?
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol has a molecular weight of 286.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-propylphenyl)methanol is sourced from PubChem (CID 61087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).