ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol

C15H24O3 — CID 143051501

IUPACethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
SMILESCC.OC(OC[C@@H]1CCCCO1)c1ccccc1
InChIInChI=1S/C13H18O3.C2H6/c14-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12;1-2/h1-3,6-7,12-14H,4-5,8-10H2;1-2H3/t12-,13?;/m0./s1
InChIKeyJUVLNFQFDXXZHI-NQJMHYHOSA-N
MW252.35 g/mol
LogP3.29
Rot. Bonds4

About ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol

ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol (PubChem CID 143051501) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol.

Molecular Properties

Compound Nameethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
PubChem CID143051501
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
SMILESCC.OC(OC[C@@H]1CCCCO1)c1ccccc1
InChIInChI=1S/C13H18O3.C2H6/c14-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12;1-2/h1-3,6-7,12-14H,4-5,8-10H2;1-2H3/t12-,13?;/m0./s1
InChIKeyJUVLNFQFDXXZHI-NQJMHYHOSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
3-[1-(oxan-2-ylmethoxy)ethyl]aniline
CID 61262580
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865

Frequently Asked Questions

What is the IUPAC name of ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol?
The IUPAC name of ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol (CID 143051501) is ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol.
What is the SMILES notation for ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol?
The canonical SMILES for ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol is CC.OC(OC[C@@H]1CCCCO1)c1ccccc1.
What is the InChIKey of ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol?
The InChIKey is JUVLNFQFDXXZHI-NQJMHYHOSA-N. The full InChI is InChI=1S/C13H18O3.C2H6/c14-13(11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12;1-2/h1-3,6-7,12-14H,4-5,8-10H2;1-2H3/t12-,13?;/m0./s1.
What are the key properties of ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol?
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol has a molecular weight of 252.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol is sourced from PubChem (CID 143051501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).