1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene

C20H26O — CID 23566423

IUPAC1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
SMILESCC(CC(C)(C)C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-16(14-20(2,3)4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3
InChIKeyWEHBKIVWZAAAKQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.81
Rot. Bonds5

About 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene

1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene (PubChem CID 23566423) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
PubChem CID23566423
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
SMILESCC(CC(C)(C)C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-16(14-20(2,3)4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3
InChIKeyWEHBKIVWZAAAKQ-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene (CID 23566423) is 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene is CC(CC(C)(C)C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene?
The InChIKey is WEHBKIVWZAAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-16(14-20(2,3)4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene?
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene has a molecular weight of 282.43 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene is sourced from PubChem (CID 23566423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).