1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene

C14H14O — CID 173376499

IUPAC1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene
SMILESCC1=CC=CCC1=COc1ccccc1
InChIInChI=1S/C14H14O/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h2-7,9-11H,8H2,1H3
InChIKeyNVUIQNQIHCMNGI-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.86
Rot. Bonds2

About 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene

1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene (PubChem CID 173376499) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene
PubChem CID173376499
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene
SMILESCC1=CC=CCC1=COc1ccccc1
InChIInChI=1S/C14H14O/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h2-7,9-11H,8H2,1H3
InChIKeyNVUIQNQIHCMNGI-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
CID 141424828
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
5-methyl-9H-benzo[7]annulene
CID 123648201
1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene
CID 175596767
3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione
CID 70240497
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
CID 13417814
benzyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 11344922
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
cyclohexa-1,3-dien-1-yloxybenzene
CID 19734973
1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
[(E)-prop-1-enoxy]benzene;zinc;chloride
CID 101206990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene (CID 173376499) is 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene is CC1=CC=CCC1=COc1ccccc1.
What is the InChIKey of 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene?
The InChIKey is NVUIQNQIHCMNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene?
1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene has a molecular weight of 198.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 173376499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).