methoxy-phenyl-phenylmethoxymethanol

C15H16O3 — CID 168654991

IUPACmethoxy-phenyl-phenylmethoxymethanol
SMILESCOC(O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O3/c1-17-15(16,14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeyRIWZDHYLLAYFER-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.65
Rot. Bonds5

About methoxy-phenyl-phenylmethoxymethanol

methoxy-phenyl-phenylmethoxymethanol (PubChem CID 168654991) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methoxy-phenyl-phenylmethoxymethanol.

Molecular Properties

Compound Namemethoxy-phenyl-phenylmethoxymethanol
PubChem CID168654991
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethoxy-phenyl-phenylmethoxymethanol
SMILESCOC(O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O3/c1-17-15(16,14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeyRIWZDHYLLAYFER-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.65
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

2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
2-phenyl-2-phenylmethoxypropanenitrile
CID 162364617
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
(1S)-1-methoxy-1-phenylethanol
CID 141414609
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
CID 158709206
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
benzyl 3,3-dimethoxybutanoate
CID 134185532
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279

Frequently Asked Questions

What is the IUPAC name of methoxy-phenyl-phenylmethoxymethanol?
The IUPAC name of methoxy-phenyl-phenylmethoxymethanol (CID 168654991) is methoxy-phenyl-phenylmethoxymethanol.
What is the SMILES notation for methoxy-phenyl-phenylmethoxymethanol?
The canonical SMILES for methoxy-phenyl-phenylmethoxymethanol is COC(O)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of methoxy-phenyl-phenylmethoxymethanol?
The InChIKey is RIWZDHYLLAYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-17-15(16,14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3.
What are the key properties of methoxy-phenyl-phenylmethoxymethanol?
methoxy-phenyl-phenylmethoxymethanol has a molecular weight of 244.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-phenyl-phenylmethoxymethanol is sourced from PubChem (CID 168654991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).