1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene

C24H24O — CID 164669353

IUPAC1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
SMILESC=C[C@@H](C)[C@@H](OCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24O/c1-3-19(2)24(25-18-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h3-17,19,24H,1,18H2,2H3/t19-,24-/m1/s1
InChIKeyIJRSNJILGOEUGJ-NTKDMRAZSA-N
MW328.45 g/mol
LogP6.43
Rot. Bonds7

About 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene

1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene (PubChem CID 164669353) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
PubChem CID164669353
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Name1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
SMILESC=C[C@@H](C)[C@@H](OCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24O/c1-3-19(2)24(25-18-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h3-17,19,24H,1,18H2,2H3/t19-,24-/m1/s1
InChIKeyIJRSNJILGOEUGJ-NTKDMRAZSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]aniline
CID 164669352
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
N-[(1R,2S)-1,2-diphenyl-2-phenylmethoxyethyl]propan-2-amine
CID 15722769
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene?
The IUPAC name of 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene (CID 164669353) is 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene?
The canonical SMILES for 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene is C=C[C@@H](C)[C@@H](OCc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene?
The InChIKey is IJRSNJILGOEUGJ-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H24O/c1-3-19(2)24(25-18-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h3-17,19,24H,1,18H2,2H3/t19-,24-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene?
1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene has a molecular weight of 328.45 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene is sourced from PubChem (CID 164669353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).