(2-butoxy-2-methoxyethenyl)benzene

C13H18O2 — CID 159522831

IUPAC(2-butoxy-2-methoxyethenyl)benzene
SMILESCCCCOC(=Cc1ccccc1)OC
InChIInChI=1S/C13H18O2/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMCAGRNRKURFWFD-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.45
Rot. Bonds6

About (2-butoxy-2-methoxyethenyl)benzene

(2-butoxy-2-methoxyethenyl)benzene (PubChem CID 159522831) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-butoxy-2-methoxyethenyl)benzene.

Molecular Properties

Compound Name(2-butoxy-2-methoxyethenyl)benzene
PubChem CID159522831
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2-butoxy-2-methoxyethenyl)benzene
SMILESCCCCOC(=Cc1ccccc1)OC
InChIInChI=1S/C13H18O2/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMCAGRNRKURFWFD-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461
decyl 2-methoxy-3-phenylprop-2-enoate
CID 164571010
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
zinc;octyl 2-methoxy-3-phenylprop-2-enoate;oxygen(2-)
CID 158496796
pentyl 2-hydroxy-3-phenylprop-2-enoate
CID 139668061
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol
CID 87393025
dibutyl but-2-enedioate;styrene
CID 70528436
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
butyl prop-2-enoate;styrene
CID 68545727

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-2-methoxyethenyl)benzene?
The IUPAC name of (2-butoxy-2-methoxyethenyl)benzene (CID 159522831) is (2-butoxy-2-methoxyethenyl)benzene.
What is the SMILES notation for (2-butoxy-2-methoxyethenyl)benzene?
The canonical SMILES for (2-butoxy-2-methoxyethenyl)benzene is CCCCOC(=Cc1ccccc1)OC.
What is the InChIKey of (2-butoxy-2-methoxyethenyl)benzene?
The InChIKey is MCAGRNRKURFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of (2-butoxy-2-methoxyethenyl)benzene?
(2-butoxy-2-methoxyethenyl)benzene has a molecular weight of 206.29 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-2-methoxyethenyl)benzene is sourced from PubChem (CID 159522831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).