1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene

C17H18O2 — CID 21281086

IUPAC1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
SMILESC=C(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-3-14(2)18-13-15-8-7-11-17(12-15)19-16-9-5-4-6-10-16/h4-12H,2-3,13H2,1H3
InChIKeyDHNFPPOGQQFVFC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.92
Rot. Bonds6

About 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene

1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene (PubChem CID 21281086) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
PubChem CID21281086
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
SMILESC=C(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-3-14(2)18-13-15-8-7-11-17(12-15)19-16-9-5-4-6-10-16/h4-12H,2-3,13H2,1H3
InChIKeyDHNFPPOGQQFVFC-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene 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

(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
(3-phenoxyphenyl)methyl (2S,3S)-2-amino-3-methylpentanoate
CID 158335765
(3-phenoxyphenyl)methyl 3,3-dimethylpent-4-enoate
CID 13305232
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
CID 142524657
(3-phenoxyphenyl)methyl 2-ethyl-4,4-dimethylhexanoate
CID 154979450
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
5-O-(2-methylpropyl) 1-O-[(3-phenoxyphenyl)methyl] pentanedioate
CID 91728129
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261

Frequently Asked Questions

What is the IUPAC name of 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene?
The IUPAC name of 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene (CID 21281086) is 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene?
The canonical SMILES for 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene is C=C(CC)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene?
The InChIKey is DHNFPPOGQQFVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-14(2)18-13-15-8-7-11-17(12-15)19-16-9-5-4-6-10-16/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene?
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene has a molecular weight of 254.33 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene is sourced from PubChem (CID 21281086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).