carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene

C16H16O2 — CID 91264614

IUPACcarbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(C)cc2C)cc1.[C-]#[O+]
InChIInChI=1S/C15H16O.CO/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-2/h4-10H,1-3H3;
InChIKeyUWZXKHUONHPFHI-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.37
Rot. Bonds2

About carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene

carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene (PubChem CID 91264614) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene.

Molecular Properties

Compound Namecarbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
PubChem CID91264614
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namecarbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(C)cc2C)cc1.[C-]#[O+]
InChIInChI=1S/C15H16O.CO/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-2/h4-10H,1-3H3;
InChIKeyUWZXKHUONHPFHI-UHFFFAOYSA-N
XLogP4.37
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
CID 123528023
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
CID 59067571
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
CID 67893432
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene?
The IUPAC name of carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene (CID 91264614) is carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene.
What is the SMILES notation for carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene?
The canonical SMILES for carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene is Cc1ccc(Oc2ccc(C)cc2C)cc1.[C-]#[O+].
What is the InChIKey of carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene?
The InChIKey is UWZXKHUONHPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.CO/c1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-2/h4-10H,1-3H3;.
What are the key properties of carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene?
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene has a molecular weight of 240.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene is sourced from PubChem (CID 91264614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).