(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one

C15H18O3 — CID 22796952

IUPAC(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one
SMILESCOCOc1cccc(/C=C2\CCCCC2=O)c1
InChIInChI=1S/C15H18O3/c1-17-11-18-14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)16/h4-5,7,9-10H,2-3,6,8,11H2,1H3/b13-9+
InChIKeyUOPMLFOATCZEOM-UKTHLTGXSA-N
MW246.31 g/mol
LogP3.20
Rot. Bonds4

About (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one

(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one (PubChem CID 22796952) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one
PubChem CID22796952
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one
SMILESCOCOc1cccc(/C=C2\CCCCC2=O)c1
InChIInChI=1S/C15H18O3/c1-17-11-18-14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)16/h4-5,7,9-10H,2-3,6,8,11H2,1H3/b13-9+
InChIKeyUOPMLFOATCZEOM-UKTHLTGXSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one (CID 22796952) is (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one is COCOc1cccc(/C=C2\CCCCC2=O)c1.
What is the InChIKey of (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one?
The InChIKey is UOPMLFOATCZEOM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-11-18-14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)16/h4-5,7,9-10H,2-3,6,8,11H2,1H3/b13-9+.
What are the key properties of (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one?
(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one is sourced from PubChem (CID 22796952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).