(2,2-dimethyl-4-phenoxybutyl)benzene

C18H22O — CID 145278687

IUPAC(2,2-dimethyl-4-phenoxybutyl)benzene
SMILESCC(C)(CCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyHFOKVIZXMMMNET-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.72
Rot. Bonds6

About (2,2-dimethyl-4-phenoxybutyl)benzene

(2,2-dimethyl-4-phenoxybutyl)benzene (PubChem CID 145278687) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (2,2-dimethyl-4-phenoxybutyl)benzene.

Molecular Properties

Compound Name(2,2-dimethyl-4-phenoxybutyl)benzene
PubChem CID145278687
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(2,2-dimethyl-4-phenoxybutyl)benzene
SMILESCC(C)(CCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyHFOKVIZXMMMNET-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2,2-dimethylpentylbenzene
CID 15727699
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine
CID 166969062
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
azane;2,2-dimethylbutylbenzene
CID 175285583
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4-phenoxybutyl)benzene?
The IUPAC name of (2,2-dimethyl-4-phenoxybutyl)benzene (CID 145278687) is (2,2-dimethyl-4-phenoxybutyl)benzene.
What is the SMILES notation for (2,2-dimethyl-4-phenoxybutyl)benzene?
The canonical SMILES for (2,2-dimethyl-4-phenoxybutyl)benzene is CC(C)(CCOc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2,2-dimethyl-4-phenoxybutyl)benzene?
The InChIKey is HFOKVIZXMMMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3.
What are the key properties of (2,2-dimethyl-4-phenoxybutyl)benzene?
(2,2-dimethyl-4-phenoxybutyl)benzene has a molecular weight of 254.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4-phenoxybutyl)benzene is sourced from PubChem (CID 145278687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).