(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol

C16H24O2 — CID 69097479

IUPAC(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
SMILESCC[C@H](O)Cc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H24O2/c1-2-15(17)10-14-8-5-9-16(11-14)18-12-13-6-3-4-7-13/h5,8-9,11,13,15,17H,2-4,6-7,10,12H2,1H3/t15-/m0/s1
InChIKeyUKPJYQKETCUDSJ-HNNXBMFYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds6

About (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol

(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol (PubChem CID 69097479) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
PubChem CID69097479
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
SMILESCC[C@H](O)Cc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H24O2/c1-2-15(17)10-14-8-5-9-16(11-14)18-12-13-6-3-4-7-13/h5,8-9,11,13,15,17H,2-4,6-7,10,12H2,1H3/t15-/m0/s1
InChIKeyUKPJYQKETCUDSJ-HNNXBMFYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
CID 58027630
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
CID 90045587
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
CID 135168970
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-butyl-3-(cyclohexylmethoxy)benzene;(3-butylphenoxy)methylcycloheptane;1-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;1-[3-(cycloheptylmethoxy)phenyl]butan-1-one;1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-2-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-one
CID 158362382
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol?
The IUPAC name of (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol (CID 69097479) is (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol.
What is the SMILES notation for (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol?
The canonical SMILES for (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol is CC[C@H](O)Cc1cccc(OCC2CCCC2)c1.
What is the InChIKey of (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol?
The InChIKey is UKPJYQKETCUDSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-15(17)10-14-8-5-9-16(11-14)18-12-13-6-3-4-7-13/h5,8-9,11,13,15,17H,2-4,6-7,10,12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol?
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 69097479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).