1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene

C22H28 — CID 142540291

IUPAC1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene
SMILESC=C(C)c1cccc(CC[C@H](C)c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C22H28/c1-15(2)22-9-7-8-20(19(22)6)12-11-17(4)21-13-10-16(3)18(5)14-21/h7-10,13-14,17H,1,11-12H2,2-6H3/t17-/m0/s1
InChIKeyFJJFWTCOFLDOOQ-KRWDZBQOSA-N
MW292.47 g/mol
LogP6.38
Rot. Bonds5

About 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene

1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene (PubChem CID 142540291) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene
PubChem CID142540291
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene
SMILESC=C(C)c1cccc(CC[C@H](C)c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C22H28/c1-15(2)22-9-7-8-20(19(22)6)12-11-17(4)21-13-10-16(3)18(5)14-21/h7-10,13-14,17H,1,11-12H2,2-6H3/t17-/m0/s1
InChIKeyFJJFWTCOFLDOOQ-KRWDZBQOSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(3S)-3-(3,4-dimethylphenyl)butyl]-3-ethyl-2-methylbenzene
CID 142540092
4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene
CID 144549568
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
CID 163584617
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005216
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
2-methyl-5-[1-(2-prop-1-en-2-ylphenyl)propan-2-yl]pyridine
CID 156882081
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
4-(3,4-dimethylphenyl)pentane-1,2-diol
CID 83927966

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene?
The IUPAC name of 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene (CID 142540291) is 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene is C=C(C)c1cccc(CC[C@H](C)c2ccc(C)c(C)c2)c1C.
What is the InChIKey of 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene?
The InChIKey is FJJFWTCOFLDOOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28/c1-15(2)22-9-7-8-20(19(22)6)12-11-17(4)21-13-10-16(3)18(5)14-21/h7-10,13-14,17H,1,11-12H2,2-6H3/t17-/m0/s1.
What are the key properties of 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene?
1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene is sourced from PubChem (CID 142540291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).