1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene

C26H38O — CID 142912545

IUPAC1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene
SMILESCCC(C)(C)C(CCc1ccc(COc2ccc(C)cc2)cc1)CC(C)C
InChIInChI=1S/C26H38O/c1-7-26(5,6)24(18-20(2)3)15-14-22-10-12-23(13-11-22)19-27-25-16-8-21(4)9-17-25/h8-13,16-17,20,24H,7,14-15,18-19H2,1-6H3
InChIKeyQFYVONMDLNWBBB-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.61
Rot. Bonds10

About 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene

1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene (PubChem CID 142912545) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene
PubChem CID142912545
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene
SMILESCCC(C)(C)C(CCc1ccc(COc2ccc(C)cc2)cc1)CC(C)C
InChIInChI=1S/C26H38O/c1-7-26(5,6)24(18-20(2)3)15-14-22-10-12-23(13-11-22)19-27-25-16-8-21(4)9-17-25/h8-13,16-17,20,24H,7,14-15,18-19H2,1-6H3
InChIKeyQFYVONMDLNWBBB-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
CID 59265321

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene?
The IUPAC name of 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene (CID 142912545) is 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene is CCC(C)(C)C(CCc1ccc(COc2ccc(C)cc2)cc1)CC(C)C.
What is the InChIKey of 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene?
The InChIKey is QFYVONMDLNWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-7-26(5,6)24(18-20(2)3)15-14-22-10-12-23(13-11-22)19-27-25-16-8-21(4)9-17-25/h8-13,16-17,20,24H,7,14-15,18-19H2,1-6H3.
What are the key properties of 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene?
1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-3-(2-methylpropyl)hexyl]-4-[(4-methylphenoxy)methyl]benzene is sourced from PubChem (CID 142912545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).