1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol

C15H22O2 — CID 15259342

IUPAC1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
SMILESCCCCCC(O)[C@@H]1CO[C@H]1c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-5-10-14(16)13-11-17-15(13)12-8-6-4-7-9-12/h4,6-9,13-16H,2-3,5,10-11H2,1H3/t13-,14?,15-/m0/s1
InChIKeyBKIADUGTLCELKD-LWEDLAQUSA-N
MW234.34 g/mol
LogP3.32
Rot. Bonds6

About 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol

1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol (PubChem CID 15259342) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol.

Molecular Properties

Compound Name1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
PubChem CID15259342
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
SMILESCCCCCC(O)[C@@H]1CO[C@H]1c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-5-10-14(16)13-11-17-15(13)12-8-6-4-7-9-12/h4,6-9,13-16H,2-3,5,10-11H2,1H3/t13-,14?,15-/m0/s1
InChIKeyBKIADUGTLCELKD-LWEDLAQUSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 101140305
1-(3-phenyloxiran-2-yl)pentan-1-ol
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(1R)-1-[(2S,3R)-2-ethynyloxetan-3-yl]hexan-1-ol
CID 134928946
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-(oxiran-2-yl)octadecan-1-ol
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CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
(1R)-1-phenyloctan-1-ol
CID 12794259
N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine
CID 175425806
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
(3S,4R)-4-pentyl-3-phenyloxolan-2-one
CID 102094914
1-(2-methyloxolan-3-yl)heptan-1-ol
CID 115783418

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol?
The IUPAC name of 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol (CID 15259342) is 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol.
What is the SMILES notation for 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol?
The canonical SMILES for 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol is CCCCCC(O)[C@@H]1CO[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol?
The InChIKey is BKIADUGTLCELKD-LWEDLAQUSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-5-10-14(16)13-11-17-15(13)12-8-6-4-7-9-12/h4,6-9,13-16H,2-3,5,10-11H2,1H3/t13-,14?,15-/m0/s1.
What are the key properties of 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol?
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol is sourced from PubChem (CID 15259342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).