(3R)-5-phenylmethoxypentane-1,3-diol

C12H18O3 — CID 73332901

IUPAC(3R)-5-phenylmethoxypentane-1,3-diol
SMILESOCC[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C12H18O3/c13-8-6-12(14)7-9-15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-/m1/s1
InChIKeyUUVGUVZTNNVCHD-GFCCVEGCSA-N
MW210.27 g/mol
LogP1.34
Rot. Bonds7

About (3R)-5-phenylmethoxypentane-1,3-diol

(3R)-5-phenylmethoxypentane-1,3-diol (PubChem CID 73332901) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3R)-5-phenylmethoxypentane-1,3-diol.

Molecular Properties

Compound Name(3R)-5-phenylmethoxypentane-1,3-diol
PubChem CID73332901
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3R)-5-phenylmethoxypentane-1,3-diol
SMILESOCC[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C12H18O3/c13-8-6-12(14)7-9-15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-/m1/s1
InChIKeyUUVGUVZTNNVCHD-GFCCVEGCSA-N
XLogP1.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158

Frequently Asked Questions

What is the IUPAC name of (3R)-5-phenylmethoxypentane-1,3-diol?
The IUPAC name of (3R)-5-phenylmethoxypentane-1,3-diol (CID 73332901) is (3R)-5-phenylmethoxypentane-1,3-diol.
What is the SMILES notation for (3R)-5-phenylmethoxypentane-1,3-diol?
The canonical SMILES for (3R)-5-phenylmethoxypentane-1,3-diol is OCC[C@@H](O)CCOCc1ccccc1.
What is the InChIKey of (3R)-5-phenylmethoxypentane-1,3-diol?
The InChIKey is UUVGUVZTNNVCHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O3/c13-8-6-12(14)7-9-15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-/m1/s1.
What are the key properties of (3R)-5-phenylmethoxypentane-1,3-diol?
(3R)-5-phenylmethoxypentane-1,3-diol has a molecular weight of 210.27 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-phenylmethoxypentane-1,3-diol is sourced from PubChem (CID 73332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).