1-(2-methylpropyl)-2-(phenoxymethyl)benzene

C17H20O — CID 173253706

IUPAC1-(2-methylpropyl)-2-(phenoxymethyl)benzene
SMILESCC(C)Cc1ccccc1COc1ccccc1
InChIInChI=1S/C17H20O/c1-14(2)12-15-8-6-7-9-16(15)13-18-17-10-4-3-5-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyLROLUFOOKBNBCR-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.46
Rot. Bonds5

About 1-(2-methylpropyl)-2-(phenoxymethyl)benzene

1-(2-methylpropyl)-2-(phenoxymethyl)benzene (PubChem CID 173253706) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(phenoxymethyl)benzene
PubChem CID173253706
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-methylpropyl)-2-(phenoxymethyl)benzene
SMILESCC(C)Cc1ccccc1COc1ccccc1
InChIInChI=1S/C17H20O/c1-14(2)12-15-8-6-7-9-16(15)13-18-17-10-4-3-5-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyLROLUFOOKBNBCR-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
[2-(phenoxymethyl)phenyl]methyl methanesulfonate
CID 126722935
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
1-(phenoxymethyl)naphthalene
CID 588110
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(phenoxymethyl)benzoate
CID 55522496
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
CID 90995304
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(phenoxymethyl)benzene?
The IUPAC name of 1-(2-methylpropyl)-2-(phenoxymethyl)benzene (CID 173253706) is 1-(2-methylpropyl)-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-2-(phenoxymethyl)benzene is CC(C)Cc1ccccc1COc1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-2-(phenoxymethyl)benzene?
The InChIKey is LROLUFOOKBNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-14(2)12-15-8-6-7-9-16(15)13-18-17-10-4-3-5-11-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-(phenoxymethyl)benzene?
1-(2-methylpropyl)-2-(phenoxymethyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(phenoxymethyl)benzene is sourced from PubChem (CID 173253706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).