1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene

C22H26O2 — CID 100960960

IUPAC1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
SMILESC=C(c1ccc(OC)cc1)[C@@H](C)[C@@H](C)C(=C)c1ccc(OC)cc1
InChIInChI=1S/C22H26O2/c1-15(17(3)19-7-11-21(23-5)12-8-19)16(2)18(4)20-9-13-22(24-6)14-10-20/h7-16H,3-4H2,1-2,5-6H3/t15-,16+
InChIKeyNBRAJUPNMGVSTK-IYBDPMFKSA-N
MW322.45 g/mol
LogP5.70
Rot. Bonds7

About 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene

1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene (PubChem CID 100960960) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
PubChem CID100960960
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
SMILESC=C(c1ccc(OC)cc1)[C@@H](C)[C@@H](C)C(=C)c1ccc(OC)cc1
InChIInChI=1S/C22H26O2/c1-15(17(3)19-7-11-21(23-5)12-8-19)16(2)18(4)20-9-13-22(24-6)14-10-20/h7-16H,3-4H2,1-2,5-6H3/t15-,16+
InChIKeyNBRAJUPNMGVSTK-IYBDPMFKSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
CID 58185940
1-[1-(4-methoxyphenyl)ethenylamino]-3-propan-2-ylthiourea
CID 2489701
CID 12714057
CID 12714057
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
CID 135056470
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene (CID 100960960) is 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene is C=C(c1ccc(OC)cc1)[C@@H](C)[C@@H](C)C(=C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene?
The InChIKey is NBRAJUPNMGVSTK-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H26O2/c1-15(17(3)19-7-11-21(23-5)12-8-19)16(2)18(4)20-9-13-22(24-6)14-10-20/h7-16H,3-4H2,1-2,5-6H3/t15-,16+.
What are the key properties of 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene?
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene has a molecular weight of 322.45 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene is sourced from PubChem (CID 100960960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).