1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran

C15H22O3 — CID 123410588

IUPAC1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran
SMILESCCOCOc1cccc2c1C(C(C)(C)C)OC2
InChIInChI=1S/C15H22O3/c1-5-16-10-18-12-8-6-7-11-9-17-14(13(11)12)15(2,3)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyFSMARFUUIHIRST-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.68
Rot. Bonds4

About 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran

1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran (PubChem CID 123410588) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran
PubChem CID123410588
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran
SMILESCCOCOc1cccc2c1C(C(C)(C)C)OC2
InChIInChI=1S/C15H22O3/c1-5-16-10-18-12-8-6-7-11-9-17-14(13(11)12)15(2,3)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyFSMARFUUIHIRST-UHFFFAOYSA-N
XLogP3.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
(2R,3R)-2-[2-(ethoxymethoxy)phenyl]-3-phenyloxirane
CID 154709342
CID 177402955
CID 177402955
(3S,4S)-3-ethyl-5-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223105
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
ethane;2-[[4-[1-[4-(ethoxymethoxy)-3-methylphenyl]-1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 176676139
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
5-tert-butyl-2-(2-ethoxyphenyl)-1,4-oxazepane
CID 106352789
2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene
CID 57457859
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
1-tert-butyl-5-ethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689004
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran (CID 123410588) is 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran is CCOCOc1cccc2c1C(C(C)(C)C)OC2.
What is the InChIKey of 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran?
The InChIKey is FSMARFUUIHIRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-16-10-18-12-8-6-7-11-9-17-14(13(11)12)15(2,3)4/h6-8,14H,5,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran?
1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-(ethoxymethoxy)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 123410588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).