[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)

C38H36O4Os — CID 163764483

IUPAC[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)
SMILESCC1=CCC(OC2C=CC(Oc3cc[c-]cc3)=CC2)C=C1.CC1=CCC(Oc2ccc(Oc3cc[c-]cc3)cc2)C=C1.[Os+2]
InChIInChI=1S/C19H19O2.C19H17O2.Os/c2*1-15-7-9-17(10-8-15)21-19-13-11-18(12-14-19)20-16-5-3-2-4-6-16;/h3-9,11-13,17,19H,10,14H2,1H3;3-9,11-14,17H,10H2,1H3;/q2*-1;+2
InChIKeyABLZVQPQSRRFHT-UHFFFAOYSA-N
MW746.93 g/mol
LogP9.30
Rot. Bonds8

About [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)

[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+) (PubChem CID 163764483) has the molecular formula C38H36O4Os and a molecular weight of 746.93 g/mol. Its IUPAC name is [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+).

Molecular Properties

Compound Name[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)
PubChem CID163764483
Molecular FormulaC38H36O4Os
Molecular Weight746.93 g/mol
Exact Mass748.22
IUPAC Name[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)
SMILESCC1=CCC(OC2C=CC(Oc3cc[c-]cc3)=CC2)C=C1.CC1=CCC(Oc2ccc(Oc3cc[c-]cc3)cc2)C=C1.[Os+2]
InChIInChI=1S/C19H19O2.C19H17O2.Os/c2*1-15-7-9-17(10-8-15)21-19-13-11-18(12-14-19)20-16-5-3-2-4-6-16;/h3-9,11-13,17,19H,10,14H2,1H3;3-9,11-14,17H,10H2,1H3;/q2*-1;+2
InChIKeyABLZVQPQSRRFHT-UHFFFAOYSA-N
XLogP9.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.93
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene
CID 163764485
2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
CID 135217148
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
carbanide;ethane;1-methyl-4-(phenoxy)benzene;tungsten(2+)
CID 170621892
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
5-(methoxymethoxy)-2-methylcyclohexa-1,3-diene
CID 130351223
1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone
CID 145108825
(1S)-1-[4-(4-acetylphenyl)phenyl]-4-[(1S)-4-(4-methylphenoxy)cyclohexa-2,4-dien-1-yl]oxycyclohexa-2,4-diene-1-carbaldehyde
CID 146549277
2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
1-[4-[4-(4-methoxyphenyl)sulfonylcyclohexa-2,4-dien-1-yl]oxyphenyl]sulfonyl-4-methylbenzene
CID 126710346
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 90334661
4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol
CID 71198618

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)?
The IUPAC name of [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+) (CID 163764483) is [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+).
What is the SMILES notation for [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)?
The canonical SMILES for [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+) is CC1=CCC(OC2C=CC(Oc3cc[c-]cc3)=CC2)C=C1.CC1=CCC(Oc2ccc(Oc3cc[c-]cc3)cc2)C=C1.[Os+2].
What is the InChIKey of [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)?
The InChIKey is ABLZVQPQSRRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O2.C19H17O2.Os/c2*1-15-7-9-17(10-8-15)21-19-13-11-18(12-14-19)20-16-5-3-2-4-6-16;/h3-9,11-13,17,19H,10,14H2,1H3;3-9,11-14,17H,10H2,1H3;/q2*-1;+2.
What are the key properties of [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)?
[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+) has a molecular weight of 746.93 g/mol, XLogP of 9.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+) is sourced from PubChem (CID 163764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).