1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene

C18H20O2 — CID 132530536

IUPAC1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
SMILESCC(C)=CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-15(2)12-13-19-17-8-10-18(11-9-17)20-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyLVZFDONRKKFFKE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.61
Rot. Bonds6

About 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene

1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene (PubChem CID 132530536) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
PubChem CID132530536
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
SMILESCC(C)=CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-15(2)12-13-19-17-8-10-18(11-9-17)20-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyLVZFDONRKKFFKE-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
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-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 60878952
4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139716931
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enal
CID 54097134
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898
2-[4-(3-methylbut-2-enoxy)phenyl]acetonitrile
CID 5315425
1-iodo-N-(3-methylbut-2-enyl)-1-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 70065777

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene (CID 132530536) is 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene is CC(C)=CCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene?
The InChIKey is LVZFDONRKKFFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-15(2)12-13-19-17-8-10-18(11-9-17)20-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene?
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene has a molecular weight of 268.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene is sourced from PubChem (CID 132530536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).