(2S)-3-phenyl-2-phenylmethoxypropan-1-ol

C16H18O2 — CID 11831604

IUPAC(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
SMILESOC[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H18O2/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyAHBUTIPTNUSWAX-INIZCTEOSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds6

About (2S)-3-phenyl-2-phenylmethoxypropan-1-ol

(2S)-3-phenyl-2-phenylmethoxypropan-1-ol (PubChem CID 11831604) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-3-phenyl-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
PubChem CID11831604
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
SMILESOC[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H18O2/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyAHBUTIPTNUSWAX-INIZCTEOSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
CID 11424981
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-phenylmethoxypropan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-phenylmethoxypropan-1-ol (CID 11831604) is (2S)-3-phenyl-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-phenylmethoxypropan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-phenylmethoxypropan-1-ol is OC[C@H](Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-phenylmethoxypropan-1-ol?
The InChIKey is AHBUTIPTNUSWAX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18O2/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-phenylmethoxypropan-1-ol?
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 11831604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).