(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol

C16H18O2 — CID 63365062

IUPAC(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O2/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-/m0/s1
InChIKeyYKVAYVVLBBAJRL-HNNXBMFYSA-N
MW242.32 g/mol
LogP3.71
Rot. Bonds5

About (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol (PubChem CID 63365062) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
PubChem CID63365062
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O2/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-/m0/s1
InChIKeyYKVAYVVLBBAJRL-HNNXBMFYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
CID 63364047
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
3-[[2-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 63365245
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol (CID 63365062) is (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol is CC[C@H](O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is YKVAYVVLBBAJRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-15(17)14-10-6-7-11-16(14)18-12-13-8-4-3-5-9-13/h3-11,15,17H,2,12H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol?
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 63365062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).