(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol

C18H22O3 — CID 154717250

IUPAC(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
SMILESCOc1ccc(COC(c2ccccc2)[C@@H](C)CO)cc1
InChIInChI=1S/C18H22O3/c1-14(12-19)18(16-6-4-3-5-7-16)21-13-15-8-10-17(20-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18?/m0/s1
InChIKeyJAILUEMIOBOLBH-PIVQAISJSA-N
MW286.37 g/mol
LogP3.58
Rot. Bonds7

About (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol

(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol (PubChem CID 154717250) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
PubChem CID154717250
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
SMILESCOc1ccc(COC(c2ccccc2)[C@@H](C)CO)cc1
InChIInChI=1S/C18H22O3/c1-14(12-19)18(16-6-4-3-5-7-16)21-13-15-8-10-17(20-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18?/m0/s1
InChIKeyJAILUEMIOBOLBH-PIVQAISJSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
CID 12060217
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(3S)-3-hydroperoxy-2-methyl-3-phenylpropan-1-ol
CID 89323490
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhept-5-yn-1-ol
CID 102590404
(3S)-2-methyl-3-phenyl-3-prop-2-ynoxypropan-1-ol
CID 129208683
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3S,4R)-7,7-dimethoxy-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-1-ol
CID 11667279
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 166591836

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol?
The IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol (CID 154717250) is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol is COc1ccc(COC(c2ccccc2)[C@@H](C)CO)cc1.
What is the InChIKey of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol?
The InChIKey is JAILUEMIOBOLBH-PIVQAISJSA-N. The full InChI is InChI=1S/C18H22O3/c1-14(12-19)18(16-6-4-3-5-7-16)21-13-15-8-10-17(20-2)11-9-15/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18?/m0/s1.
What are the key properties of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol?
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol is sourced from PubChem (CID 154717250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).