1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol

C14H20O3 — CID 65212811

IUPAC1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESC[C@H](O)c1cccc(OCC2(O)CCCC2)c1
InChIInChI=1S/C14H20O3/c1-11(15)12-5-4-6-13(9-12)17-10-14(16)7-2-3-8-14/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3/t11-/m0/s1
InChIKeyZXSQMXPDIWSBTK-NSHDSACASA-N
MW236.31 g/mol
LogP2.42
Rot. Bonds4

About 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol

1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol (PubChem CID 65212811) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
PubChem CID65212811
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESC[C@H](O)c1cccc(OCC2(O)CCCC2)c1
InChIInChI=1S/C14H20O3/c1-11(15)12-5-4-6-13(9-12)17-10-14(16)7-2-3-8-14/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3/t11-/m0/s1
InChIKeyZXSQMXPDIWSBTK-NSHDSACASA-N
XLogP2.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol (CID 65212811) is 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol is C[C@H](O)c1cccc(OCC2(O)CCCC2)c1.
What is the InChIKey of 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is ZXSQMXPDIWSBTK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20O3/c1-11(15)12-5-4-6-13(9-12)17-10-14(16)7-2-3-8-14/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol?
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).