1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene

C26H24O2 — CID 145340240

IUPAC1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene
SMILESCC1=CC=C(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C26H24O2/c1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24/h3-5,7-13,15-18H,6,14H2,1-2H3
InChIKeyDDBOQFKCISNSOP-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.46
Rot. Bonds5

About 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene

1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene (PubChem CID 145340240) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene
PubChem CID145340240
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene
SMILESCC1=CC=C(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C26H24O2/c1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24/h3-5,7-13,15-18H,6,14H2,1-2H3
InChIKeyDDBOQFKCISNSOP-UHFFFAOYSA-N
XLogP7.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene (CID 145340240) is 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene is CC1=CC=C(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene?
The InChIKey is DDBOQFKCISNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24/h3-5,7-13,15-18H,6,14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene?
1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene has a molecular weight of 368.48 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]phenoxy]benzene is sourced from PubChem (CID 145340240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).