1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene

C19H22 — CID 14906848

IUPAC1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
SMILESC/C(=C/c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C19H22/c1-15(19(2,3)4)14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-14H,1-4H3/b15-14-
InChIKeyXLAFWKYMKBCHSE-PFONDFGASA-N
MW250.39 g/mol
LogP5.80
Rot. Bonds2

About 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene

1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene (PubChem CID 14906848) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
PubChem CID14906848
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
SMILESC/C(=C/c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C19H22/c1-15(19(2,3)4)14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-14H,1-4H3/b15-14-
InChIKeyXLAFWKYMKBCHSE-PFONDFGASA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
2-(4-phenylphenyl)ethene-1,1-diamine
CID 173373118
4,4-dimethyl-3-oxo-2-[(4-phenylphenyl)methylidene]pentanenitrile
CID 4797225
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
ditert-butyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620525
1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
CID 134838792
(2Z)-1-phenyl-2-[(4-phenylphenyl)methylidene]butane-1,3-dione
CID 5388565
3-[4-(4-tert-butylphenyl)phenyl]-2-methylprop-2-enoic acid
CID 69194959
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-ene-2,2-diol
CID 162604448
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene?
The IUPAC name of 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene (CID 14906848) is 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene.
What is the SMILES notation for 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene?
The canonical SMILES for 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene is C/C(=C/c1ccc(-c2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene?
The InChIKey is XLAFWKYMKBCHSE-PFONDFGASA-N. The full InChI is InChI=1S/C19H22/c1-15(19(2,3)4)14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-14H,1-4H3/b15-14-.
What are the key properties of 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene?
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene has a molecular weight of 250.39 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene is sourced from PubChem (CID 14906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).