(2-butoxy-1-phenylethenyl)benzene

C18H20O — CID 57081718

IUPAC(2-butoxy-1-phenylethenyl)benzene
SMILESCCCCOC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyXPEMRZFSVQHVPB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.89
Rot. Bonds6

About (2-butoxy-1-phenylethenyl)benzene

(2-butoxy-1-phenylethenyl)benzene (PubChem CID 57081718) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-butoxy-1-phenylethenyl)benzene.

Molecular Properties

Compound Name(2-butoxy-1-phenylethenyl)benzene
PubChem CID57081718
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(2-butoxy-1-phenylethenyl)benzene
SMILESCCCCOC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyXPEMRZFSVQHVPB-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-butoxy-1-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone
CID 101131366
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
(111C)butyl benzoate
CID 11994383
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
1,1-diphenylhept-1-en-3-one
CID 69091035
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
phenyl 3-butoxyprop-2-enoate
CID 67200074
benzoic acid;butyl acetate
CID 67420594
butyl benzoate;hexyl benzoate
CID 22163024
butyl hydrogen carbonate;1-phenylethanone
CID 161206169
[(Z)-1-methoxytridec-1-en-2-yl]benzene
CID 101375240

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-1-phenylethenyl)benzene?
The IUPAC name of (2-butoxy-1-phenylethenyl)benzene (CID 57081718) is (2-butoxy-1-phenylethenyl)benzene.
What is the SMILES notation for (2-butoxy-1-phenylethenyl)benzene?
The canonical SMILES for (2-butoxy-1-phenylethenyl)benzene is CCCCOC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butoxy-1-phenylethenyl)benzene?
The InChIKey is XPEMRZFSVQHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3.
What are the key properties of (2-butoxy-1-phenylethenyl)benzene?
(2-butoxy-1-phenylethenyl)benzene has a molecular weight of 252.36 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-1-phenylethenyl)benzene is sourced from PubChem (CID 57081718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).