1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene

C24H22O — CID 89468170

IUPAC1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene
SMILESC=c1cccc/c1=C(\C=C/C)/C=C/c1ccc(OC)c2ccccc12
InChIInChI=1S/C24H22O/c1-4-9-19(21-11-6-5-10-18(21)2)14-15-20-16-17-24(25-3)23-13-8-7-12-22(20)23/h4-17H,2H2,1,3H3/b9-4+,15-14+,21-19+
InChIKeyAICIWRGWTZSCAW-WGINGURBSA-N
MW326.44 g/mol
LogP4.70
Rot. Bonds4

About 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene

1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene (PubChem CID 89468170) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene
PubChem CID89468170
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene
SMILESC=c1cccc/c1=C(\C=C/C)/C=C/c1ccc(OC)c2ccccc12
InChIInChI=1S/C24H22O/c1-4-9-19(21-11-6-5-10-18(21)2)14-15-20-16-17-24(25-3)23-13-8-7-12-22(20)23/h4-17H,2H2,1,3H3/b9-4+,15-14+,21-19+
InChIKeyAICIWRGWTZSCAW-WGINGURBSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dibromoethenyl)-4-methoxynaphthalene
CID 154991789
S-(4-fluorophenyl) (E)-3-(4-methoxynaphthalen-1-yl)prop-2-enethioate
CID 6164464
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 142740667
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
1-(5-bromo-2-hydroxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 154574212
1-[(E)-but-2-enoxy]-4-methoxynaphthalene
CID 134894339
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
methyl (E)-4-(4-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550322
(6E)-N-[2-[2-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]-6-[(1E)-1-(4-methoxynaphthalen-1-yl)penta-1,4-dien-3-ylidene]cyclohexa-2,4-dien-1-imine
CID 90464161
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene?
The IUPAC name of 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene (CID 89468170) is 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene is C=c1cccc/c1=C(\C=C/C)/C=C/c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene?
The InChIKey is AICIWRGWTZSCAW-WGINGURBSA-N. The full InChI is InChI=1S/C24H22O/c1-4-9-19(21-11-6-5-10-18(21)2)14-15-20-16-17-24(25-3)23-13-8-7-12-22(20)23/h4-17H,2H2,1,3H3/b9-4+,15-14+,21-19+.
What are the key properties of 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene?
1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene has a molecular weight of 326.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene is sourced from PubChem (CID 89468170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).