1-methyl-4-(4-phenylpent-3-en-2-yl)benzene

C18H20 — CID 173216306

IUPAC1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
SMILESCC(=CC(C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H20/c1-14-9-11-18(12-10-14)16(3)13-15(2)17-7-5-4-6-8-17/h4-13,16H,1-3H3
InChIKeyQYFGCAYITCEXOU-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.20
Rot. Bonds3

About 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene

1-methyl-4-(4-phenylpent-3-en-2-yl)benzene (PubChem CID 173216306) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
PubChem CID173216306
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
SMILESCC(=CC(C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H20/c1-14-9-11-18(12-10-14)16(3)13-15(2)17-7-5-4-6-8-17/h4-13,16H,1-3H3
InChIKeyQYFGCAYITCEXOU-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[(E)-4-[4-(trifluoromethyl)phenyl]pent-2-en-2-yl]benzene
CID 143439424
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(E)-2-methyl-4-(4-methylphenyl)pent-2-en-1-ol
CID 90431836
1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
CID 54597344
4-methylhex-2-en-2-ylbenzene
CID 76543432
(E)-N,N-bis[(4-methylphenyl)methyl]-2-phenylprop-1-en-1-amine
CID 59845319
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
[(E)-4-ethenoxypent-2-en-2-yl]benzene
CID 134840505
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene?
The IUPAC name of 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene (CID 173216306) is 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene is CC(=CC(C)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene?
The InChIKey is QYFGCAYITCEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-14-9-11-18(12-10-14)16(3)13-15(2)17-7-5-4-6-8-17/h4-13,16H,1-3H3.
What are the key properties of 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene?
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene has a molecular weight of 236.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylpent-3-en-2-yl)benzene is sourced from PubChem (CID 173216306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).