1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol

C28H38O — CID 163412584

IUPAC1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol
SMILESCc1cccc(C2=CCCCC2)c1C.Cc1cccc(C2CCCCC2O)c1C
InChIInChI=1S/C14H20O.C14H18/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h5-6,8,13-15H,3-4,7,9H2,1-2H3;6-8,10H,3-5,9H2,1-2H3
InChIKeyABRUBJMWFIXSJR-UHFFFAOYSA-N
MW390.61 g/mol
LogP7.58
Rot. Bonds2

About 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol

1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol (PubChem CID 163412584) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol
PubChem CID163412584
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol
SMILESCc1cccc(C2=CCCCC2)c1C.Cc1cccc(C2CCCCC2O)c1C
InChIInChI=1S/C14H20O.C14H18/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h5-6,8,13-15H,3-4,7,9H2,1-2H3;6-8,10H,3-5,9H2,1-2H3
InChIKeyABRUBJMWFIXSJR-UHFFFAOYSA-N
XLogP7.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol (CID 163412584) is 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol is Cc1cccc(C2=CCCCC2)c1C.Cc1cccc(C2CCCCC2O)c1C.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol?
The InChIKey is ABRUBJMWFIXSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C14H18/c1-10-6-5-8-12(11(10)2)13-7-3-4-9-14(13)15;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h5-6,8,13-15H,3-4,7,9H2,1-2H3;6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol?
1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol has a molecular weight of 390.61 g/mol, XLogP of 7.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 163412584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).