[(1S)-1-cyclopropylethoxy]methylbenzene

C12H16O — CID 144674545

IUPAC[(1S)-1-cyclopropylethoxy]methylbenzene
SMILESC[C@H](OCc1ccccc1)C1CC1
InChIInChI=1S/C12H16O/c1-10(12-7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyYVEOMCNXAHMTDX-JTQLQIEISA-N
MW176.26 g/mol
LogP3.00
Rot. Bonds4

About [(1S)-1-cyclopropylethoxy]methylbenzene

[(1S)-1-cyclopropylethoxy]methylbenzene (PubChem CID 144674545) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(1S)-1-cyclopropylethoxy]methylbenzene.

Molecular Properties

Compound Name[(1S)-1-cyclopropylethoxy]methylbenzene
PubChem CID144674545
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(1S)-1-cyclopropylethoxy]methylbenzene
SMILESC[C@H](OCc1ccccc1)C1CC1
InChIInChI=1S/C12H16O/c1-10(12-7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyYVEOMCNXAHMTDX-JTQLQIEISA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
3-hydroxy-5-(1-phenylmethoxyethyl)cyclohex-2-en-1-one
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benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706
1-bromo-3-[1-fluoro-3-[(1S)-1-phenylmethoxyethyl]cyclobutyl]benzene
CID 174064808
cyclohexyl(phenylmethoxy)methanol
CID 54334195
butan-2-yloxymethylbenzene;ethane
CID 161043537
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(2S,5S)-2-[(1S)-1-phenylmethoxyethyl]-5-propan-2-yloxolan-3-one
CID 15360166
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclopropylethoxy]methylbenzene?
The IUPAC name of [(1S)-1-cyclopropylethoxy]methylbenzene (CID 144674545) is [(1S)-1-cyclopropylethoxy]methylbenzene.
What is the SMILES notation for [(1S)-1-cyclopropylethoxy]methylbenzene?
The canonical SMILES for [(1S)-1-cyclopropylethoxy]methylbenzene is C[C@H](OCc1ccccc1)C1CC1.
What is the InChIKey of [(1S)-1-cyclopropylethoxy]methylbenzene?
The InChIKey is YVEOMCNXAHMTDX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16O/c1-10(12-7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of [(1S)-1-cyclopropylethoxy]methylbenzene?
[(1S)-1-cyclopropylethoxy]methylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopropylethoxy]methylbenzene is sourced from PubChem (CID 144674545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).