1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene

C19H24O2 — CID 71219491

IUPAC1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene
SMILESCOC(c1ccccc1)c1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C19H24O2/c1-19(2,3)14-21-17-12-10-16(11-13-17)18(20-4)15-8-6-5-7-9-15/h5-13,18H,14H2,1-4H3
InChIKeyUWCWSDUAXIZBRN-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.85
Rot. Bonds5

About 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene

1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene (PubChem CID 71219491) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene
PubChem CID71219491
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene
SMILESCOC(c1ccccc1)c1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C19H24O2/c1-19(2,3)14-21-17-12-10-16(11-13-17)18(20-4)15-8-6-5-7-9-15/h5-13,18H,14H2,1-4H3
InChIKeyUWCWSDUAXIZBRN-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
2-[[4-[[[4-(2-cyano-2-methylhexoxy)phenyl]-phenylmethoxy]-phenylmethyl]phenoxy]methyl]-2-methylhexanenitrile
CID 139715988
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
(3R)-3-[4-(2,2-dimethylpropoxy)phenyl]hex-4-ynoic acid
CID 155409330
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2,2-difluoropropoxybenzene
CID 10997493
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene?
The IUPAC name of 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene (CID 71219491) is 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene is COC(c1ccccc1)c1ccc(OCC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene?
The InChIKey is UWCWSDUAXIZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-19(2,3)14-21-17-12-10-16(11-13-17)18(20-4)15-8-6-5-7-9-15/h5-13,18H,14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene?
1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene has a molecular weight of 284.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-4-[methoxy(phenyl)methyl]benzene is sourced from PubChem (CID 71219491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).