4-phenylmethoxy-1,3-benzodioxole

C14H12O3 — CID 14180566

IUPAC4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2cccc3c2OCO3)cc1
InChIInChI=1S/C14H12O3/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)17-10-16-13/h1-8H,9-10H2
InChIKeyXUTHSBFIGBZWFO-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.99
Rot. Bonds3

About 4-phenylmethoxy-1,3-benzodioxole

4-phenylmethoxy-1,3-benzodioxole (PubChem CID 14180566) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-phenylmethoxy-1,3-benzodioxole.

Molecular Properties

Compound Name4-phenylmethoxy-1,3-benzodioxole
PubChem CID14180566
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-phenylmethoxy-1,3-benzodioxole
SMILESc1ccc(COc2cccc3c2OCO3)cc1
InChIInChI=1S/C14H12O3/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)17-10-16-13/h1-8H,9-10H2
InChIKeyXUTHSBFIGBZWFO-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
5-phenyl-4-phenylmethoxy-1,3-benzodioxole
CID 70629497
N-[3-(1,3-benzodioxol-4-yloxy)propyl]aniline;hydrochloride
CID 169103310
8-phenylmethoxy-2H-chromene-3-carbaldehyde
CID 10611787
N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 23373810
N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 23373762
4-(2-prop-2-enoxyphenyl)-1,3-benzodioxole
CID 91017639
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 99499848
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine;hydrochloride
CID 122199548
2-(1,3-benzodioxol-4-yloxy)butanoic acid
CID 151190632
1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one
CID 122366493

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1,3-benzodioxole?
The IUPAC name of 4-phenylmethoxy-1,3-benzodioxole (CID 14180566) is 4-phenylmethoxy-1,3-benzodioxole.
What is the SMILES notation for 4-phenylmethoxy-1,3-benzodioxole?
The canonical SMILES for 4-phenylmethoxy-1,3-benzodioxole is c1ccc(COc2cccc3c2OCO3)cc1.
What is the InChIKey of 4-phenylmethoxy-1,3-benzodioxole?
The InChIKey is XUTHSBFIGBZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)17-10-16-13/h1-8H,9-10H2.
What are the key properties of 4-phenylmethoxy-1,3-benzodioxole?
4-phenylmethoxy-1,3-benzodioxole has a molecular weight of 228.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1,3-benzodioxole is sourced from PubChem (CID 14180566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).