[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene

C16H16 — CID 102446167

IUPAC[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
SMILES[2H]/C(=C(\CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b15-13-/i13D
InChIKeyBBHBYGXZJZWYMF-JEGHLGMPSA-N
MW209.31 g/mol
LogP4.64
Rot. Bonds3

About [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene

[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene (PubChem CID 102446167) has the molecular formula C16H16 and a molecular weight of 209.31 g/mol. Its IUPAC name is [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
PubChem CID102446167
Molecular FormulaC16H16
Molecular Weight209.31 g/mol
Exact Mass209.13
IUPAC Name[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
SMILES[2H]/C(=C(\CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b15-13-/i13D
InChIKeyBBHBYGXZJZWYMF-JEGHLGMPSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 132571656
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[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
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[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
CID 155725923
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
(5-benzylidene-6-methylhept-3-en-3-yl)benzene
CID 173457168
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene?
The IUPAC name of [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene (CID 102446167) is [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene.
What is the SMILES notation for [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene?
The canonical SMILES for [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene is [2H]/C(=C(\CC)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene?
The InChIKey is BBHBYGXZJZWYMF-JEGHLGMPSA-N. The full InChI is InChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b15-13-/i13D.
What are the key properties of [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene?
[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene has a molecular weight of 209.31 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene is sourced from PubChem (CID 102446167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).