methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate

C24H30O4S — CID 143476615

IUPACmethane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate
SMILESC.C=C(C)c1cccc(Sc2ccc(OCc3ccccc3)c(OC)c2)c1.O.O
InChIInChI=1S/C23H22O2S.CH4.2H2O/c1-17(2)19-10-7-11-20(14-19)26-21-12-13-22(23(15-21)24-3)25-16-18-8-5-4-6-9-18;;;/h4-15H,1,16H2,2-3H3;1H4;2*1H2
InChIKeyRLVUUJXZIZJHLP-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.45
Rot. Bonds7

About methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate

methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate (PubChem CID 143476615) has the molecular formula C24H30O4S and a molecular weight of 414.57 g/mol. Its IUPAC name is methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate.

Molecular Properties

Compound Namemethane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate
PubChem CID143476615
Molecular FormulaC24H30O4S
Molecular Weight414.57 g/mol
Exact Mass414.19
IUPAC Namemethane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate
SMILESC.C=C(C)c1cccc(Sc2ccc(OCc3ccccc3)c(OC)c2)c1.O.O
InChIInChI=1S/C23H22O2S.CH4.2H2O/c1-17(2)19-10-7-11-20(14-19)26-21-12-13-22(23(15-21)24-3)25-16-18-8-5-4-6-9-18;;;/h4-15H,1,16H2,2-3H3;1H4;2*1H2
InChIKeyRLVUUJXZIZJHLP-UHFFFAOYSA-N
XLogP5.45
TPSA81.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
CID 143476442
1-(difluoromethyl)-3-fluoro-2-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
CID 143476464
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide
CID 143003503
3-methoxy-4-phenylmethoxyaniline
CID 27226
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-[1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 4304437

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate?
The IUPAC name of methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate (CID 143476615) is methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate.
What is the SMILES notation for methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate?
The canonical SMILES for methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate is C.C=C(C)c1cccc(Sc2ccc(OCc3ccccc3)c(OC)c2)c1.O.O.
What is the InChIKey of methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate?
The InChIKey is RLVUUJXZIZJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S.CH4.2H2O/c1-17(2)19-10-7-11-20(14-19)26-21-12-13-22(23(15-21)24-3)25-16-18-8-5-4-6-9-18;;;/h4-15H,1,16H2,2-3H3;1H4;2*1H2.
What are the key properties of methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate?
methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate has a molecular weight of 414.57 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-1-phenylmethoxy-4-(3-prop-1-en-2-ylphenyl)sulfanylbenzene;dihydrate is sourced from PubChem (CID 143476615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).