1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene

C30H34O2 — CID 142058853

IUPAC1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene
SMILESCOC1=CCC[C@H](C)C(C)=C1.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C20H18O.C10H16O/c1-15-8-11-20(14-16(15)2)21-19-12-9-18(10-13-19)17-6-4-3-5-7-17;1-8-5-4-6-10(11-3)7-9(8)2/h3-14H,1-2H3;6-8H,4-5H2,1-3H3/t;8-/m.0/s1
InChIKeyPVLZDXNESVGHCL-WDBKTSHHSA-N
MW426.60 g/mol
LogP8.66
Rot. Bonds4

About 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene

1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene (PubChem CID 142058853) has the molecular formula C30H34O2 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene
PubChem CID142058853
Molecular FormulaC30H34O2
Molecular Weight426.60 g/mol
Exact Mass426.26
IUPAC Name1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene
SMILESCOC1=CCC[C@H](C)C(C)=C1.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C20H18O.C10H16O/c1-15-8-11-20(14-16(15)2)21-19-12-9-18(10-13-19)17-6-4-3-5-7-17;1-8-5-4-6-10(11-3)7-9(8)2/h3-14H,1-2H3;6-8H,4-5H2,1-3H3/t;8-/m.0/s1
InChIKeyPVLZDXNESVGHCL-WDBKTSHHSA-N
XLogP8.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
CID 145094302
[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane
CID 139799875
4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
CID 69357096
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
potassium 5-(3,4-dimethylphenyl)sulfonyl-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzenesulfonate
CID 158047655
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
propan-2-yl 4-[4-(3,4-dimethylphenoxy)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844941
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene?
The IUPAC name of 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene (CID 142058853) is 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene.
What is the SMILES notation for 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene?
The canonical SMILES for 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene is COC1=CCC[C@H](C)C(C)=C1.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene?
The InChIKey is PVLZDXNESVGHCL-WDBKTSHHSA-N. The full InChI is InChI=1S/C20H18O.C10H16O/c1-15-8-11-20(14-16(15)2)21-19-12-9-18(10-13-19)17-6-4-3-5-7-17;1-8-5-4-6-10(11-3)7-9(8)2/h3-14H,1-2H3;6-8H,4-5H2,1-3H3/t;8-/m.0/s1.
What are the key properties of 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene?
1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene has a molecular weight of 426.60 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-phenylphenoxy)benzene;(7S)-3-methoxy-1,7-dimethylcyclohepta-1,3-diene is sourced from PubChem (CID 142058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).