(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol

C16H18O3 — CID 135066400

IUPAC(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
SMILESCOc1ccc(O[C@H](c2ccccc2)[C@H](C)O)cc1
InChIInChI=1S/C16H18O3/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16-17H,1-2H3/t12-,16-/m0/s1
InChIKeyAFZISNOGSPDNCG-LRDDRELGSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds5

About (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol

(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol (PubChem CID 135066400) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
PubChem CID135066400
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
SMILESCOc1ccc(O[C@H](c2ccccc2)[C@H](C)O)cc1
InChIInChI=1S/C16H18O3/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16-17H,1-2H3/t12-,16-/m0/s1
InChIKeyAFZISNOGSPDNCG-LRDDRELGSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

anisole;1-phenoxyethanol
CID 143208941
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
1-(4-methoxyanilino)-1-phenoxypropan-2-ol
CID 135372336
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
CID 177409236

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol (CID 135066400) is (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol is COc1ccc(O[C@H](c2ccccc2)[C@H](C)O)cc1.
What is the InChIKey of (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol?
The InChIKey is AFZISNOGSPDNCG-LRDDRELGSA-N. The full InChI is InChI=1S/C16H18O3/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16-17H,1-2H3/t12-,16-/m0/s1.
What are the key properties of (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol?
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol is sourced from PubChem (CID 135066400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).