1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene

C19H22O2 — CID 21317630

IUPAC1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
SMILESC=CCC(COc1ccc(C)cc1)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-3-7-19(20-14-17-8-5-4-6-9-17)15-21-18-12-10-16(2)11-13-18/h3-6,8-13,19H,1,7,14-15H2,2H3
InChIKeyLQMXAFXGUHBCAE-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.54
Rot. Bonds8

About 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene

1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene (PubChem CID 21317630) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
PubChem CID21317630
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
SMILESC=CCC(COc1ccc(C)cc1)OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-3-7-19(20-14-17-8-5-4-6-9-17)15-21-18-12-10-16(2)11-13-18/h3-6,8-13,19H,1,7,14-15H2,2H3
InChIKeyLQMXAFXGUHBCAE-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.54
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

1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene?
The IUPAC name of 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene (CID 21317630) is 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene?
The canonical SMILES for 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene is C=CCC(COc1ccc(C)cc1)OCc1ccccc1.
What is the InChIKey of 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene?
The InChIKey is LQMXAFXGUHBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-7-19(20-14-17-8-5-4-6-9-17)15-21-18-12-10-16(2)11-13-18/h3-6,8-13,19H,1,7,14-15H2,2H3.
What are the key properties of 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene?
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene has a molecular weight of 282.38 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene is sourced from PubChem (CID 21317630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).