1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene

C20H24O — CID 177453758

IUPAC1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
SMILESCCCc1ccc([C@@H](C)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O/c1-4-5-17-8-12-19(13-9-17)16(2)6-7-18-10-14-20(21-3)15-11-18/h6-16H,4-5H2,1-3H3/b7-6+/t16-/m0/s1
InChIKeySARVVPMZNUXADM-MOEXGYKKSA-N
MW280.41 g/mol
LogP5.46
Rot. Bonds6

About 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene

1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene (PubChem CID 177453758) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
PubChem CID177453758
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
SMILESCCCc1ccc([C@@H](C)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O/c1-4-5-17-8-12-19(13-9-17)16(2)6-7-18-10-14-20(21-3)15-11-18/h6-16H,4-5H2,1-3H3/b7-6+/t16-/m0/s1
InChIKeySARVVPMZNUXADM-MOEXGYKKSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
CID 139679614
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
CID 63440600
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 162401202
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene (CID 177453758) is 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene is CCCc1ccc([C@@H](C)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene?
The InChIKey is SARVVPMZNUXADM-MOEXGYKKSA-N. The full InChI is InChI=1S/C20H24O/c1-4-5-17-8-12-19(13-9-17)16(2)6-7-18-10-14-20(21-3)15-11-18/h6-16H,4-5H2,1-3H3/b7-6+/t16-/m0/s1.
What are the key properties of 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene?
1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene has a molecular weight of 280.41 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 177453758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).