(3R)-1-phenoxyhexan-3-ol

C12H18O2 — CID 102063151

IUPAC(3R)-1-phenoxyhexan-3-ol
SMILESCCC[C@@H](O)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-2-6-11(13)9-10-14-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t11-/m1/s1
InChIKeyJNXJDXPDPIGACZ-LLVKDONJSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds6

About (3R)-1-phenoxyhexan-3-ol

(3R)-1-phenoxyhexan-3-ol (PubChem CID 102063151) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3R)-1-phenoxyhexan-3-ol.

Molecular Properties

Compound Name(3R)-1-phenoxyhexan-3-ol
PubChem CID102063151
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3R)-1-phenoxyhexan-3-ol
SMILESCCC[C@@H](O)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-2-6-11(13)9-10-14-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t11-/m1/s1
InChIKeyJNXJDXPDPIGACZ-LLVKDONJSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diphenoxypentan-3-ol
CID 5314309
1-phenoxyhept-6-yn-3-ol
CID 63657279
6-phenoxyhexane-1,3-diol
CID 71343394
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
5-methyl-1-phenoxyhex-4-en-3-ol
CID 105110168
1-phenoxyheptan-2-ol
CID 12731443
2-(2-phenoxyethyl)hexanoic acid
CID 154500059

Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenoxyhexan-3-ol?
The IUPAC name of (3R)-1-phenoxyhexan-3-ol (CID 102063151) is (3R)-1-phenoxyhexan-3-ol.
What is the SMILES notation for (3R)-1-phenoxyhexan-3-ol?
The canonical SMILES for (3R)-1-phenoxyhexan-3-ol is CCC[C@@H](O)CCOc1ccccc1.
What is the InChIKey of (3R)-1-phenoxyhexan-3-ol?
The InChIKey is JNXJDXPDPIGACZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-6-11(13)9-10-14-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-phenoxyhexan-3-ol?
(3R)-1-phenoxyhexan-3-ol has a molecular weight of 194.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenoxyhexan-3-ol is sourced from PubChem (CID 102063151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).