1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol

C17H20O4 — CID 62374358

IUPAC1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol
SMILESCOc1ccc(CO)c(OCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H20O4/c1-17(19,14-6-4-3-5-7-14)12-21-16-10-15(20-2)9-8-13(16)11-18/h3-10,18-19H,11-12H2,1-2H3
InChIKeyKHRHLAUCQWMHFA-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol

1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol (PubChem CID 62374358) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol
PubChem CID62374358
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol
SMILESCOc1ccc(CO)c(OCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H20O4/c1-17(19,14-6-4-3-5-7-14)12-21-16-10-15(20-2)9-8-13(16)11-18/h3-10,18-19H,11-12H2,1-2H3
InChIKeyKHRHLAUCQWMHFA-UHFFFAOYSA-N
XLogP2.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
CID 83234065
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
4-[2-(hydroxymethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65253720
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
[2-[(5-chloro-2-methoxyphenyl)methoxy]-4-methoxyphenyl]methanol
CID 61268126
N,N-diethyl-2-[2-(hydroxymethyl)-5-methoxyphenoxy]acetamide
CID 61269414
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol (CID 62374358) is 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol is COc1ccc(CO)c(OCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol?
The InChIKey is KHRHLAUCQWMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-17(19,14-6-4-3-5-7-14)12-21-16-10-15(20-2)9-8-13(16)11-18/h3-10,18-19H,11-12H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol?
1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol has a molecular weight of 288.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).