1-phenoxy-3-propa-1,2-dienylbenzene

C15H12O — CID 15419608

IUPAC1-phenoxy-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12O/c1-2-7-13-8-6-11-15(12-13)16-14-9-4-3-5-10-14/h3-12H,1H2
InChIKeyTYMMSIQBSVLCKY-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.28
Rot. Bonds3

About 1-phenoxy-3-propa-1,2-dienylbenzene

1-phenoxy-3-propa-1,2-dienylbenzene (PubChem CID 15419608) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-phenoxy-3-propa-1,2-dienylbenzene.

Molecular Properties

Compound Name1-phenoxy-3-propa-1,2-dienylbenzene
PubChem CID15419608
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1-phenoxy-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12O/c1-2-7-13-8-6-11-15(12-13)16-14-9-4-3-5-10-14/h3-12H,1H2
InChIKeyTYMMSIQBSVLCKY-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
1-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
2,2-dimethyl-5-[(3-phenoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168598804
(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-propa-1,2-dienylbenzene?
The IUPAC name of 1-phenoxy-3-propa-1,2-dienylbenzene (CID 15419608) is 1-phenoxy-3-propa-1,2-dienylbenzene.
What is the SMILES notation for 1-phenoxy-3-propa-1,2-dienylbenzene?
The canonical SMILES for 1-phenoxy-3-propa-1,2-dienylbenzene is C=C=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-phenoxy-3-propa-1,2-dienylbenzene?
The InChIKey is TYMMSIQBSVLCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-7-13-8-6-11-15(12-13)16-14-9-4-3-5-10-14/h3-12H,1H2.
What are the key properties of 1-phenoxy-3-propa-1,2-dienylbenzene?
1-phenoxy-3-propa-1,2-dienylbenzene has a molecular weight of 208.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-propa-1,2-dienylbenzene is sourced from PubChem (CID 15419608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).