methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane

C19H24O5S — CID 161286829

IUPACmethyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
SMILESCOC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)OC)c1.S
InChIInChI=1S/C19H22O5.H2S/c1-14(12-21-2)24-18-10-16(19(20)22-3)9-17(11-18)23-13-15-7-5-4-6-8-15;/h4-11,14H,12-13H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyVFVFOJGYKIOQNC-UQKRIMTDSA-N
MW364.46 g/mol
LogP3.58
Rot. Bonds8

About methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane

methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane (PubChem CID 161286829) has the molecular formula C19H24O5S and a molecular weight of 364.46 g/mol. Its IUPAC name is methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane.

Molecular Properties

Compound Namemethyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
PubChem CID161286829
Molecular FormulaC19H24O5S
Molecular Weight364.46 g/mol
Exact Mass364.13
IUPAC Namemethyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
SMILESCOC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)OC)c1.S
InChIInChI=1S/C19H22O5.H2S/c1-14(12-21-2)24-18-10-16(19(20)22-3)9-17(11-18)23-13-15-7-5-4-6-8-15;/h4-11,14H,12-13H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyVFVFOJGYKIOQNC-UQKRIMTDSA-N
XLogP3.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
CID 67489263
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
ethane;3-[(2S)-1-methoxypropan-2-yl]oxy-5-(2-phenylethoxy)benzoic acid
CID 143606642
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;methyl (2E)-2-[[1-[[3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzoyl]amino]propylideneamino]methylidene]butanoate
CID 143059938
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane?
The IUPAC name of methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane (CID 161286829) is methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane.
What is the SMILES notation for methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane?
The canonical SMILES for methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane is COC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)OC)c1.S.
What is the InChIKey of methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane?
The InChIKey is VFVFOJGYKIOQNC-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H22O5.H2S/c1-14(12-21-2)24-18-10-16(19(20)22-3)9-17(11-18)23-13-15-7-5-4-6-8-15;/h4-11,14H,12-13H2,1-3H3;1H2/t14-;/m0./s1.
What are the key properties of methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane?
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane has a molecular weight of 364.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane is sourced from PubChem (CID 161286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).