1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene

C18H22O — CID 59836559

IUPAC1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
SMILESCC(C)(C)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H22O/c1-18(2,3)13-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKeyDORPANAMBLHUQX-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.85
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene

1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene (PubChem CID 59836559) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
PubChem CID59836559
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
SMILESCC(C)(C)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H22O/c1-18(2,3)13-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKeyDORPANAMBLHUQX-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid
CID 174338786
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
(2,3,4,5,6-pentafluorophenyl) 2-(2-phenylmethoxyphenyl)acetate
CID 87805473
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene (CID 59836559) is 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene is CC(C)(C)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene?
The InChIKey is DORPANAMBLHUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-18(2,3)13-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene?
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene has a molecular weight of 254.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 59836559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).