[(1R)-1-ethenoxybutyl]benzene

C12H16O — CID 11469385

IUPAC[(1R)-1-ethenoxybutyl]benzene
SMILESC=CO[C@H](CCC)c1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyVWCSBCQKIAKJOS-GFCCVEGCSA-N
MW176.26 g/mol
LogP3.69
Rot. Bonds5

About [(1R)-1-ethenoxybutyl]benzene

[(1R)-1-ethenoxybutyl]benzene (PubChem CID 11469385) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(1R)-1-ethenoxybutyl]benzene.

Molecular Properties

Compound Name[(1R)-1-ethenoxybutyl]benzene
PubChem CID11469385
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(1R)-1-ethenoxybutyl]benzene
SMILESC=CO[C@H](CCC)c1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyVWCSBCQKIAKJOS-GFCCVEGCSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-phenylpentyl formate
CID 54289292
1-pentoxybutylbenzene
CID 173061669
1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901
1-phenyldodecyl formate
CID 91598065
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703
1-(1-phenylpentoxy)prop-2-enylbenzene
CID 173002800
2-(1-phenylbutoxymethyl)phenol
CID 67179577
[ethenoxy(phenyl)methyl]benzene
CID 11401563
N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 101004910
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-ethenoxybutyl]benzene?
The IUPAC name of [(1R)-1-ethenoxybutyl]benzene (CID 11469385) is [(1R)-1-ethenoxybutyl]benzene.
What is the SMILES notation for [(1R)-1-ethenoxybutyl]benzene?
The canonical SMILES for [(1R)-1-ethenoxybutyl]benzene is C=CO[C@H](CCC)c1ccccc1.
What is the InChIKey of [(1R)-1-ethenoxybutyl]benzene?
The InChIKey is VWCSBCQKIAKJOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h4-7,9-10,12H,2-3,8H2,1H3/t12-/m1/s1.
What are the key properties of [(1R)-1-ethenoxybutyl]benzene?
[(1R)-1-ethenoxybutyl]benzene has a molecular weight of 176.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-ethenoxybutyl]benzene is sourced from PubChem (CID 11469385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).