(3S)-3-phenylmethoxyoxan-2-ol

C12H16O3 — CID 10608436

IUPAC(3S)-3-phenylmethoxyoxan-2-ol
SMILESOC1OCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H16O3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12?/m0/s1
InChIKeyWQHLBJNRISUZPZ-PXYINDEMSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds3

About (3S)-3-phenylmethoxyoxan-2-ol

(3S)-3-phenylmethoxyoxan-2-ol (PubChem CID 10608436) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S)-3-phenylmethoxyoxan-2-ol.

Molecular Properties

Compound Name(3S)-3-phenylmethoxyoxan-2-ol
PubChem CID10608436
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3S)-3-phenylmethoxyoxan-2-ol
SMILESOC1OCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H16O3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12?/m0/s1
InChIKeyWQHLBJNRISUZPZ-PXYINDEMSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
CID 102510511
4-[(2R,3R)-3-phenylmethoxyoxan-2-yl]but-3-yn-2-ol
CID 10945177
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
2-phenylmethoxyoxetane
CID 23030739
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylmethoxyoxan-2-ol?
The IUPAC name of (3S)-3-phenylmethoxyoxan-2-ol (CID 10608436) is (3S)-3-phenylmethoxyoxan-2-ol.
What is the SMILES notation for (3S)-3-phenylmethoxyoxan-2-ol?
The canonical SMILES for (3S)-3-phenylmethoxyoxan-2-ol is OC1OCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S)-3-phenylmethoxyoxan-2-ol?
The InChIKey is WQHLBJNRISUZPZ-PXYINDEMSA-N. The full InChI is InChI=1S/C12H16O3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12?/m0/s1.
What are the key properties of (3S)-3-phenylmethoxyoxan-2-ol?
(3S)-3-phenylmethoxyoxan-2-ol has a molecular weight of 208.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylmethoxyoxan-2-ol is sourced from PubChem (CID 10608436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).