4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene

C17H22O2 — CID 135015384

IUPAC4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C=C2CCCCC2)cc1OC
InChIInChI=1S/C17H22O2/c1-3-11-19-16-10-9-15(13-17(16)18-2)12-14-7-5-4-6-8-14/h3,9-10,12-13H,1,4-8,11H2,2H3
InChIKeyNJDSYGFFDXECAN-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.61
Rot. Bonds5

About 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene

4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene (PubChem CID 135015384) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene
PubChem CID135015384
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C=C2CCCCC2)cc1OC
InChIInChI=1S/C17H22O2/c1-3-11-19-16-10-9-15(13-17(16)18-2)12-14-7-5-4-6-8-14/h3,9-10,12-13H,1,4-8,11H2,2H3
InChIKeyNJDSYGFFDXECAN-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.61
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-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
(5E)-2-amino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2262638
N-(2-methoxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-amine
CID 79341174
5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 2865683
(5Z)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2262519
(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 167864296
(Z)-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
CID 51167039
1-(4-chlorophenyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 3116481
2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
CID 143437489
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
CID 7330106

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene?
The IUPAC name of 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene (CID 135015384) is 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene.
What is the SMILES notation for 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene?
The canonical SMILES for 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene is C=CCOc1ccc(C=C2CCCCC2)cc1OC.
What is the InChIKey of 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene?
The InChIKey is NJDSYGFFDXECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-11-19-16-10-9-15(13-17(16)18-2)12-14-7-5-4-6-8-14/h3,9-10,12-13H,1,4-8,11H2,2H3.
What are the key properties of 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene?
4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene has a molecular weight of 258.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene is sourced from PubChem (CID 135015384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).