1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene

C20H24O2 — CID 134844752

IUPAC1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene
SMILESC=C[C@H](CCc1ccccc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O2/c1-4-16(10-11-17-8-6-5-7-9-17)14-18-12-13-19(21-2)20(15-18)22-3/h4-9,12-13,15-16H,1,10-11,14H2,2-3H3/t16-/m1/s1
InChIKeyNUUUPUGGJKBZMV-MRXNPFEDSA-N
MW296.41 g/mol
LogP4.68
Rot. Bonds8

About 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene

1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene (PubChem CID 134844752) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene
PubChem CID134844752
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene
SMILESC=C[C@H](CCc1ccccc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O2/c1-4-16(10-11-17-8-6-5-7-9-17)14-18-12-13-19(21-2)20(15-18)22-3/h4-9,12-13,15-16H,1,10-11,14H2,2-3H3/t16-/m1/s1
InChIKeyNUUUPUGGJKBZMV-MRXNPFEDSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[benzyl-[4-[(3,4-dimethoxyphenyl)methyl]hex-5-enoyl]amino]-2-diazo-3-oxopropanoate
CID 85285015
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
CID 102280841
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
3-(3,4-dimethoxyphenyl)-2-phenylmethoxypropanenitrile
CID 42627879

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene (CID 134844752) is 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene is C=C[C@H](CCc1ccccc1)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene?
The InChIKey is NUUUPUGGJKBZMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24O2/c1-4-16(10-11-17-8-6-5-7-9-17)14-18-12-13-19(21-2)20(15-18)22-3/h4-9,12-13,15-16H,1,10-11,14H2,2-3H3/t16-/m1/s1.
What are the key properties of 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene?
1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene has a molecular weight of 296.41 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(2R)-2-(2-phenylethyl)but-3-enyl]benzene is sourced from PubChem (CID 134844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).