1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene

C17H20O — CID 151214684

IUPAC1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
SMILESCOc1cccc(-c2ccccc2CC(C)C)c1
InChIInChI=1S/C17H20O/c1-13(2)11-14-7-4-5-10-17(14)15-8-6-9-16(12-15)18-3/h4-10,12-13H,11H2,1-3H3
InChIKeyNKZSCFZHQJIZNP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.56
Rot. Bonds4

About 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene

1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene (PubChem CID 151214684) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
PubChem CID151214684
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
SMILESCOc1cccc(-c2ccccc2CC(C)C)c1
InChIInChI=1S/C17H20O/c1-13(2)11-14-7-4-5-10-17(14)15-8-6-9-16(12-15)18-3/h4-10,12-13H,11H2,1-3H3
InChIKeyNKZSCFZHQJIZNP-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
[2-(3-methoxyphenyl)phenyl]methyl propanoate
CID 57074260
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68927596
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
CID 115824632
[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
CID 57278925
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene?
The IUPAC name of 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene (CID 151214684) is 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene?
The canonical SMILES for 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene is COc1cccc(-c2ccccc2CC(C)C)c1.
What is the InChIKey of 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene?
The InChIKey is NKZSCFZHQJIZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13(2)11-14-7-4-5-10-17(14)15-8-6-9-16(12-15)18-3/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene?
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene has a molecular weight of 240.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene is sourced from PubChem (CID 151214684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).