(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene

C21H24O2 — CID 91579429

IUPAC(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene
SMILESC=C1CCC(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C21H24O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-11,20-21H,1,12-16H2
InChIKeyFUNDGQBQECBFSL-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.90
Rot. Bonds6

About (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene

(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene (PubChem CID 91579429) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene.

Molecular Properties

Compound Name(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene
PubChem CID91579429
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene
SMILESC=C1CCC(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C21H24O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-11,20-21H,1,12-16H2
InChIKeyFUNDGQBQECBFSL-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
5-methylidene-3-phenylmethoxyazepane
CID 144890570
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565

Frequently Asked Questions

What is the IUPAC name of (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene?
The IUPAC name of (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene (CID 91579429) is (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene.
What is the SMILES notation for (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene?
The canonical SMILES for (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene is C=C1CCC(OCc2ccccc2)C(OCc2ccccc2)C1.
What is the InChIKey of (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene?
The InChIKey is FUNDGQBQECBFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-11,20-21H,1,12-16H2.
What are the key properties of (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene?
(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene has a molecular weight of 308.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene is sourced from PubChem (CID 91579429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).