1-[(E)-but-2-enyl]-3-phenoxybenzene

C16H16O — CID 23463492

IUPAC1-[(E)-but-2-enyl]-3-phenoxybenzene
SMILESC/C=C/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-2-3-8-14-9-7-12-16(13-14)17-15-10-5-4-6-11-15/h2-7,9-13H,8H2,1H3/b3-2+
InChIKeyHQDAAAQYRZFGSW-NSCUHMNNSA-N
MW224.30 g/mol
LogP4.60
Rot. Bonds4

About 1-[(E)-but-2-enyl]-3-phenoxybenzene

1-[(E)-but-2-enyl]-3-phenoxybenzene (PubChem CID 23463492) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-phenoxybenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-phenoxybenzene
PubChem CID23463492
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-[(E)-but-2-enyl]-3-phenoxybenzene
SMILESC/C=C/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-2-3-8-14-9-7-12-16(13-14)17-15-10-5-4-6-11-15/h2-7,9-13H,8H2,1H3/b3-2+
InChIKeyHQDAAAQYRZFGSW-NSCUHMNNSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pent-2-enyl-3-phenoxybenzene
CID 70370206
(E)-4-(3-phenoxyphenyl)but-2-enoic acid
CID 12054491
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
CID 54025707
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene
CID 13490178
3-[2-[3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid
CID 70238101
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
but-2-enylbenzene;prop-1-ene
CID 159250462
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-phenoxybenzene?
The IUPAC name of 1-[(E)-but-2-enyl]-3-phenoxybenzene (CID 23463492) is 1-[(E)-but-2-enyl]-3-phenoxybenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-phenoxybenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-phenoxybenzene is C/C=C/Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-phenoxybenzene?
The InChIKey is HQDAAAQYRZFGSW-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-8-14-9-7-12-16(13-14)17-15-10-5-4-6-11-15/h2-7,9-13H,8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-3-phenoxybenzene?
1-[(E)-but-2-enyl]-3-phenoxybenzene has a molecular weight of 224.30 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-phenoxybenzene is sourced from PubChem (CID 23463492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).