5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)

C38H46O2 — CID 161068113

IUPAC5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)
SMILESCc1cccc(C2=CC=CC(C)(O)C2C)c1C.Cc1ccccc1C.Cc1ccccc1C.Oc1ccccc1
InChIInChI=1S/C16H20O.2C8H10.C6H6O/c1-11-7-5-8-14(12(11)2)15-9-6-10-16(4,17)13(15)3;2*1-7-5-3-4-6-8(7)2;7-6-4-2-1-3-5-6/h5-10,13,17H,1-4H3;2*3-6H,1-2H3;1-5,7H
InChIKeyUEHMXSBZSSNGOR-UHFFFAOYSA-N
MW534.78 g/mol
LogP9.64
Rot. Bonds1

About 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)

5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene) (PubChem CID 161068113) has the molecular formula C38H46O2 and a molecular weight of 534.78 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene).

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)
PubChem CID161068113
Molecular FormulaC38H46O2
Molecular Weight534.78 g/mol
Exact Mass534.35
IUPAC Name5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)
SMILESCc1cccc(C2=CC=CC(C)(O)C2C)c1C.Cc1ccccc1C.Cc1ccccc1C.Oc1ccccc1
InChIInChI=1S/C16H20O.2C8H10.C6H6O/c1-11-7-5-8-14(12(11)2)15-9-6-10-16(4,17)13(15)3;2*1-7-5-3-4-6-8(7)2;7-6-4-2-1-3-5-6/h5-10,13,17H,1-4H3;2*3-6H,1-2H3;1-5,7H
InChIKeyUEHMXSBZSSNGOR-UHFFFAOYSA-N
XLogP9.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.78
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)?
The IUPAC name of 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene) (CID 161068113) is 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene).
What is the SMILES notation for 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)?
The canonical SMILES for 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene) is Cc1cccc(C2=CC=CC(C)(O)C2C)c1C.Cc1ccccc1C.Cc1ccccc1C.Oc1ccccc1.
What is the InChIKey of 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)?
The InChIKey is UEHMXSBZSSNGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O.2C8H10.C6H6O/c1-11-7-5-8-14(12(11)2)15-9-6-10-16(4,17)13(15)3;2*1-7-5-3-4-6-8(7)2;7-6-4-2-1-3-5-6/h5-10,13,17H,1-4H3;2*3-6H,1-2H3;1-5,7H.
What are the key properties of 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene)?
5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene) has a molecular weight of 534.78 g/mol, XLogP of 9.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol;phenol;bis(1,2-xylene) is sourced from PubChem (CID 161068113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).