1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene

C20H24O4 — CID 67489263

IUPAC1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
SMILESC=C(OC)c1cc(OCc2ccccc2)cc(O[C@@H](C)COC)c1
InChIInChI=1S/C20H24O4/c1-15(13-21-3)24-20-11-18(16(2)22-4)10-19(12-20)23-14-17-8-6-5-7-9-17/h5-12,15H,2,13-14H2,1,3-4H3/t15-/m0/s1
InChIKeyJLVTXNAHXPONES-HNNXBMFYSA-N
MW328.41 g/mol
LogP4.30
Rot. Bonds9

About 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene

1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene (PubChem CID 67489263) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
PubChem CID67489263
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
SMILESC=C(OC)c1cc(OCc2ccccc2)cc(O[C@@H](C)COC)c1
InChIInChI=1S/C20H24O4/c1-15(13-21-3)24-20-11-18(16(2)22-4)10-19(12-20)23-14-17-8-6-5-7-9-17/h5-12,15H,2,13-14H2,1,3-4H3/t15-/m0/s1
InChIKeyJLVTXNAHXPONES-HNNXBMFYSA-N
XLogP4.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
3-(1-methoxyethenyl)-5-phenylmethoxyphenol
CID 67489270
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
N-[(Z)-1-amino-3-(ethylamino)prop-2-enylidene]-3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzamide
CID 143336323
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921195
ethane;3-[(2S)-1-methoxypropan-2-yl]oxy-5-(2-phenylethoxy)benzoic acid
CID 143606642
N-[(Z)-1-amino-3-(methylamino)but-2-enylidene]-3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzamide
CID 143391885
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
ethane;methyl (2E)-2-[[1-[[3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzoyl]amino]propylideneamino]methylidene]butanoate
CID 143059938
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene?
The IUPAC name of 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene (CID 67489263) is 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene.
What is the SMILES notation for 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene?
The canonical SMILES for 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene is C=C(OC)c1cc(OCc2ccccc2)cc(O[C@@H](C)COC)c1.
What is the InChIKey of 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene?
The InChIKey is JLVTXNAHXPONES-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15(13-21-3)24-20-11-18(16(2)22-4)10-19(12-20)23-14-17-8-6-5-7-9-17/h5-12,15H,2,13-14H2,1,3-4H3/t15-/m0/s1.
What are the key properties of 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene?
1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene has a molecular weight of 328.41 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene is sourced from PubChem (CID 67489263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).