1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol

C18H22O3 — CID 69346055

IUPAC1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
SMILESCOc1ccc(C)cc1C(OCc1ccccc1)C(C)O
InChIInChI=1S/C18H22O3/c1-13-9-10-17(20-3)16(11-13)18(14(2)19)21-12-15-7-5-4-6-8-15/h4-11,14,18-19H,12H2,1-3H3
InChIKeyIGFSASXUJACBCX-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol

1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol (PubChem CID 69346055) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
PubChem CID69346055
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
SMILESCOc1ccc(C)cc1C(OCc1ccccc1)C(C)O
InChIInChI=1S/C18H22O3/c1-13-9-10-17(20-3)16(11-13)18(14(2)19)21-12-15-7-5-4-6-8-15/h4-11,14,18-19H,12H2,1-3H3
InChIKeyIGFSASXUJACBCX-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid
CID 100546975
(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol
CID 10408939
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
(5-benzyl-2-methoxyphenyl)methanediol
CID 70401164
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol (CID 69346055) is 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol is COc1ccc(C)cc1C(OCc1ccccc1)C(C)O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol?
The InChIKey is IGFSASXUJACBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13-9-10-17(20-3)16(11-13)18(14(2)19)21-12-15-7-5-4-6-8-15/h4-11,14,18-19H,12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol?
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol has a molecular weight of 286.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol is sourced from PubChem (CID 69346055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).