1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene

C23H22O — CID 71377358

IUPAC1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene
SMILESC=CC(c1ccccc1)C(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C23H22O/c1-3-20(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)21-16-10-11-17-22(21)24-2/h3-17,20,23H,1H2,2H3
InChIKeyFBLMQYRPORUOFC-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.80
Rot. Bonds6

About 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene

1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene (PubChem CID 71377358) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene
PubChem CID71377358
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene
SMILESC=CC(c1ccccc1)C(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C23H22O/c1-3-20(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)21-16-10-11-17-22(21)24-2/h3-17,20,23H,1H2,2H3
InChIKeyFBLMQYRPORUOFC-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.80
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

(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
CID 11149486
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(1-chloroprop-2-enyl)-2-methoxybenzene
CID 139328621
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
1-methoxy-2-[(3S)-5-methylhexa-1,5-dien-3-yl]benzene
CID 134966785
3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
CID 143671323
1-methoxyprop-2-enylbenzene
CID 11029990

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene?
The IUPAC name of 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene (CID 71377358) is 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene?
The canonical SMILES for 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene is C=CC(c1ccccc1)C(c1ccccc1)c1ccccc1OC.
What is the InChIKey of 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene?
The InChIKey is FBLMQYRPORUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-3-20(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)21-16-10-11-17-22(21)24-2/h3-17,20,23H,1H2,2H3.
What are the key properties of 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene?
1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene has a molecular weight of 314.43 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene is sourced from PubChem (CID 71377358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).