1-(2-methylpropyl)-2-propoxybenzene

C13H20O — CID 54411248

IUPAC1-(2-methylpropyl)-2-propoxybenzene
SMILESCCCOc1ccccc1CC(C)C
InChIInChI=1S/C13H20O/c1-4-9-14-13-8-6-5-7-12(13)10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyPBBVMZRZCWIXSF-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds5

About 1-(2-methylpropyl)-2-propoxybenzene

1-(2-methylpropyl)-2-propoxybenzene (PubChem CID 54411248) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-propoxybenzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-propoxybenzene
PubChem CID54411248
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(2-methylpropyl)-2-propoxybenzene
SMILESCCCOc1ccccc1CC(C)C
InChIInChI=1S/C13H20O/c1-4-9-14-13-8-6-5-7-12(13)10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyPBBVMZRZCWIXSF-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
1-(2-propoxyphenyl)ethanol
CID 43503976
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
lithium;hydride;2-(2-propoxyphenyl)acetaldehyde
CID 173143571
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-propoxybenzene?
The IUPAC name of 1-(2-methylpropyl)-2-propoxybenzene (CID 54411248) is 1-(2-methylpropyl)-2-propoxybenzene.
What is the SMILES notation for 1-(2-methylpropyl)-2-propoxybenzene?
The canonical SMILES for 1-(2-methylpropyl)-2-propoxybenzene is CCCOc1ccccc1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-propoxybenzene?
The InChIKey is PBBVMZRZCWIXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-9-14-13-8-6-5-7-12(13)10-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-2-propoxybenzene?
1-(2-methylpropyl)-2-propoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 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-propoxybenzene is sourced from PubChem (CID 54411248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).