methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol

C44H66O8 — CID 160895993

IUPACmethane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol
SMILESC.C.C.C.COc1ccc(CO[C@H](CCC=O)COCc2ccccc2)cc1.COc1ccc(CO[C@H](CCCO)COCc2ccccc2)cc1
InChIInChI=1S/C20H26O4.C20H24O4.4CH4/c2*1-22-19-11-9-18(10-12-19)15-24-20(8-5-13-21)16-23-14-17-6-3-2-4-7-17;;;;/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3;2-4,6-7,9-13,20H,5,8,14-16H2,1H3;4*1H4/t2*20-;;;;/m11..../s1
InChIKeySOWOEEPPBRFFTA-QOYKTADFSA-N
MW723.00 g/mol
LogP9.89
Rot. Bonds22

About methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol

methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol (PubChem CID 160895993) has the molecular formula C44H66O8 and a molecular weight of 723.00 g/mol. Its IUPAC name is methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Namemethane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol
PubChem CID160895993
Molecular FormulaC44H66O8
Molecular Weight723.00 g/mol
Exact Mass722.48
IUPAC Namemethane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol
SMILESC.C.C.C.COc1ccc(CO[C@H](CCC=O)COCc2ccccc2)cc1.COc1ccc(CO[C@H](CCCO)COCc2ccccc2)cc1
InChIInChI=1S/C20H26O4.C20H24O4.4CH4/c2*1-22-19-11-9-18(10-12-19)15-24-20(8-5-13-21)16-23-14-17-6-3-2-4-7-17;;;;/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3;2-4,6-7,9-13,20H,5,8,14-16H2,1H3;4*1H4/t2*20-;;;;/m11..../s1
InChIKeySOWOEEPPBRFFTA-QOYKTADFSA-N
XLogP9.89
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.00
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R)-3,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-8-phenylmethoxyoctanal
CID 53359239
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
4-phenylmethoxynonadecan-1-ol
CID 15735676
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate
CID 11448551
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983

Frequently Asked Questions

What is the IUPAC name of methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol?
The IUPAC name of methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol (CID 160895993) is methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol.
What is the SMILES notation for methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol?
The canonical SMILES for methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol is C.C.C.C.COc1ccc(CO[C@H](CCC=O)COCc2ccccc2)cc1.COc1ccc(CO[C@H](CCCO)COCc2ccccc2)cc1.
What is the InChIKey of methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol?
The InChIKey is SOWOEEPPBRFFTA-QOYKTADFSA-N. The full InChI is InChI=1S/C20H26O4.C20H24O4.4CH4/c2*1-22-19-11-9-18(10-12-19)15-24-20(8-5-13-21)16-23-14-17-6-3-2-4-7-17;;;;/h2-4,6-7,9-12,20-21H,5,8,13-16H2,1H3;2-4,6-7,9-13,20H,5,8,14-16H2,1H3;4*1H4/t2*20-;;;;/m11..../s1.
What are the key properties of methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol?
methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol has a molecular weight of 723.00 g/mol, XLogP of 9.89, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol is sourced from PubChem (CID 160895993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).