(3R)-3-phenylmethoxypentan-1-ol

C12H18O2 — CID 130841649

IUPAC(3R)-3-phenylmethoxypentan-1-ol
SMILESCC[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C12H18O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-/m1/s1
InChIKeyFMDFSJDHZBZBLU-GFCCVEGCSA-N
MW194.27 g/mol
LogP2.36
Rot. Bonds6

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

(3R)-3-phenylmethoxypentan-1-ol (PubChem CID 130841649) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3R)-3-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Name(3R)-3-phenylmethoxypentan-1-ol
PubChem CID130841649
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3R)-3-phenylmethoxypentan-1-ol
SMILESCC[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C12H18O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-/m1/s1
InChIKeyFMDFSJDHZBZBLU-GFCCVEGCSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hexan-3-yloxymethylbenzene
CID 20782034
3-phenylmethoxypentane-1-thiol
CID 21429433
6-phenylmethoxyoctan-3-one
CID 163975632
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
4-phenylmethoxynonadecan-1-ol
CID 15735676
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
2-hydroxy-16-phenylmethoxyoctadecanoic acid
CID 101300485
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylmethoxypentan-1-ol?
The IUPAC name of (3R)-3-phenylmethoxypentan-1-ol (CID 130841649) is (3R)-3-phenylmethoxypentan-1-ol.
What is the SMILES notation for (3R)-3-phenylmethoxypentan-1-ol?
The canonical SMILES for (3R)-3-phenylmethoxypentan-1-ol is CC[C@H](CCO)OCc1ccccc1.
What is the InChIKey of (3R)-3-phenylmethoxypentan-1-ol?
The InChIKey is FMDFSJDHZBZBLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-phenylmethoxypentan-1-ol?
(3R)-3-phenylmethoxypentan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylmethoxypentan-1-ol is sourced from PubChem (CID 130841649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).