4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene

C18H22O4 — CID 10780824

IUPAC4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
SMILES[3H]C(Cc1ccc(OCc2ccccc2)c(OC)c1)(OC)OC
InChIInChI=1S/C18H22O4/c1-19-17-11-15(12-18(20-2)21-3)9-10-16(17)22-13-14-7-5-4-6-8-14/h4-11,18H,12-13H2,1-3H3/i18T
InChIKeyGOMAOSBFNWWCNK-TXDDHSHZSA-N
MW304.38 g/mol
LogP3.44
Rot. Bonds8

About 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene

4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene (PubChem CID 10780824) has the molecular formula C18H22O4 and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
PubChem CID10780824
Molecular FormulaC18H22O4
Molecular Weight304.38 g/mol
Exact Mass304.16
IUPAC Name4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
SMILES[3H]C(Cc1ccc(OCc2ccccc2)c(OC)c1)(OC)OC
InChIInChI=1S/C18H22O4/c1-19-17-11-15(12-18(20-2)21-3)9-10-16(17)22-13-14-7-5-4-6-8-14/h4-11,18H,12-13H2,1-3H3/i18T
InChIKeyGOMAOSBFNWWCNK-TXDDHSHZSA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane
CID 155415599
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane
CID 155415594
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
3-methoxy-4-phenylmethoxyaniline
CID 27226
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene?
The IUPAC name of 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene (CID 10780824) is 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene.
What is the SMILES notation for 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene?
The canonical SMILES for 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene is [3H]C(Cc1ccc(OCc2ccccc2)c(OC)c1)(OC)OC.
What is the InChIKey of 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene?
The InChIKey is GOMAOSBFNWWCNK-TXDDHSHZSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-17-11-15(12-18(20-2)21-3)9-10-16(17)22-13-14-7-5-4-6-8-14/h4-11,18H,12-13H2,1-3H3/i18T.
What are the key properties of 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene?
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene has a molecular weight of 304.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene is sourced from PubChem (CID 10780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).