1-methyl-3-(3-propan-2-ylphenoxy)benzene

C16H18O — CID 70851605

IUPAC1-methyl-3-(3-propan-2-ylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O/c1-12(2)14-7-5-9-16(11-14)17-15-8-4-6-13(3)10-15/h4-12H,1-3H3
InChIKeyWLDNCHZXYCUZEW-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.91
Rot. Bonds3

About 1-methyl-3-(3-propan-2-ylphenoxy)benzene

1-methyl-3-(3-propan-2-ylphenoxy)benzene (PubChem CID 70851605) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-3-(3-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-methyl-3-(3-propan-2-ylphenoxy)benzene
PubChem CID70851605
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methyl-3-(3-propan-2-ylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O/c1-12(2)14-7-5-9-16(11-14)17-15-8-4-6-13(3)10-15/h4-12H,1-3H3
InChIKeyWLDNCHZXYCUZEW-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
CID 91869714
CID 91869714
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1,2-diisocyano-4-(3-propan-2-ylphenoxy)benzene
CID 123578088
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-methyl-3-(3-propan-2-ylphenoxy)benzene (CID 70851605) is 1-methyl-3-(3-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-methyl-3-(3-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-methyl-3-(3-propan-2-ylphenoxy)benzene is Cc1cccc(Oc2cccc(C(C)C)c2)c1.
What is the InChIKey of 1-methyl-3-(3-propan-2-ylphenoxy)benzene?
The InChIKey is WLDNCHZXYCUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)14-7-5-9-16(11-14)17-15-8-4-6-13(3)10-15/h4-12H,1-3H3.
What are the key properties of 1-methyl-3-(3-propan-2-ylphenoxy)benzene?
1-methyl-3-(3-propan-2-ylphenoxy)benzene has a molecular weight of 226.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 70851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).