1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene

C18H22O2 — CID 170789369

IUPAC1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene
SMILESC=C(CCCc1ccc(OC2=CCCC=C2)cc1)OC
InChIInChI=1S/C18H22O2/c1-15(19-2)7-6-8-16-11-13-18(14-12-16)20-17-9-4-3-5-10-17/h4,9-14H,1,3,5-8H2,2H3
InChIKeyJRSXPDKZXOCWMD-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.78
Rot. Bonds7

About 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene

1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene (PubChem CID 170789369) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene
PubChem CID170789369
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene
SMILESC=C(CCCc1ccc(OC2=CCCC=C2)cc1)OC
InChIInChI=1S/C18H22O2/c1-15(19-2)7-6-8-16-11-13-18(14-12-16)20-17-9-4-3-5-10-17/h4,9-14H,1,3,5-8H2,2H3
InChIKeyJRSXPDKZXOCWMD-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxypent-4-enyl)-4-methylbenzene
CID 159520064
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane
CID 154689264
3-[4-[(3-cyclohexa-1,5-dien-1-yloxyphenyl)methylamino]phenyl]propanoic acid
CID 139325449
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde
CID 143451318
1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene
CID 143451273
N-propan-2-yl-5-(4-propan-2-yloxyphenyl)pent-1-en-2-amine
CID 170569416
1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
CID 145339177
2-methoxycyclohexa-1,3-diene;propanoic acid
CID 174731082
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene (CID 170789369) is 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene is C=C(CCCc1ccc(OC2=CCCC=C2)cc1)OC.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene?
The InChIKey is JRSXPDKZXOCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15(19-2)7-6-8-16-11-13-18(14-12-16)20-17-9-4-3-5-10-17/h4,9-14H,1,3,5-8H2,2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene?
1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene has a molecular weight of 270.37 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxy-4-(4-methoxypent-4-enyl)benzene is sourced from PubChem (CID 170789369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).