[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate

C21H22O2 — CID 6211510

IUPAC[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
SMILESCC(=O)O/C(=C1/CCCCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2/c1-16(22)23-21(18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-20-
InChIKeyYCMOTZFCSOXVRO-MRCUWXFGSA-N
MW306.41 g/mol
LogP5.32
Rot. Bonds3

About [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate

[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate (PubChem CID 6211510) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate.

Molecular Properties

Compound Name[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
PubChem CID6211510
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
SMILESCC(=O)O/C(=C1/CCCCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2/c1-16(22)23-21(18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-20-
InChIKeyYCMOTZFCSOXVRO-MRCUWXFGSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate
CID 6027187
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
CID 98298121
(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
CID 92524008
(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
CID 125470084
methyl 2-benzhydrylidenecyclohexane-1-carboxylate
CID 131851980
[(Z)-[4-(2-oxoethyl)oxolan-3-ylidene]-phenylmethyl] acetate
CID 11470956
[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate
CID 101265009
CID 162308474
CID 162308474
[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
CID 24938472
(14-benzoyloxy-13-tricyclo[6.4.2.02,7]tetradecanyl) benzoate
CID 174194512
trans-methyl (1S,3S)-2-oxo-3-phenylcycloheptane-1-carboxylate
CID 129386150
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408

Frequently Asked Questions

What is the IUPAC name of [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate?
The IUPAC name of [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate (CID 6211510) is [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate.
What is the SMILES notation for [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate?
The canonical SMILES for [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate is CC(=O)O/C(=C1/CCCCC1c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate?
The InChIKey is YCMOTZFCSOXVRO-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H22O2/c1-16(22)23-21(18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-20-.
What are the key properties of [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate?
[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate has a molecular weight of 306.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate is sourced from PubChem (CID 6211510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).