(2S)-1-(3-benzylphenoxy)propan-2-ol

C16H18O2 — CID 121250409

IUPAC(2S)-1-(3-benzylphenoxy)propan-2-ol
SMILESC[C@H](O)COc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13(17)12-18-16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11,13,17H,10,12H2,1H3/t13-/m0/s1
InChIKeyRSIVLILHJQKACH-ZDUSSCGKSA-N
MW242.32 g/mol
LogP3.04
Rot. Bonds5

About (2S)-1-(3-benzylphenoxy)propan-2-ol

(2S)-1-(3-benzylphenoxy)propan-2-ol (PubChem CID 121250409) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-1-(3-benzylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-benzylphenoxy)propan-2-ol
PubChem CID121250409
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(2S)-1-(3-benzylphenoxy)propan-2-ol
SMILESC[C@H](O)COc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13(17)12-18-16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11,13,17H,10,12H2,1H3/t13-/m0/s1
InChIKeyRSIVLILHJQKACH-ZDUSSCGKSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-phenoxypropan-2-ol
CID 90926921
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
acetic acid;1-phenoxypropan-2-ol
CID 68567525
1-benzyl-3-(fluoromethoxy)benzene
CID 173286107
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
CID 175254611
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-benzylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(3-benzylphenoxy)propan-2-ol (CID 121250409) is (2S)-1-(3-benzylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-benzylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(3-benzylphenoxy)propan-2-ol is C[C@H](O)COc1cccc(Cc2ccccc2)c1.
What is the InChIKey of (2S)-1-(3-benzylphenoxy)propan-2-ol?
The InChIKey is RSIVLILHJQKACH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18O2/c1-13(17)12-18-16-9-5-8-15(11-16)10-14-6-3-2-4-7-14/h2-9,11,13,17H,10,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3-benzylphenoxy)propan-2-ol?
(2S)-1-(3-benzylphenoxy)propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-benzylphenoxy)propan-2-ol is sourced from PubChem (CID 121250409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).