2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran

C16H19BrO — CID 175575933

IUPAC2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran
SMILESCc1c(Br)oc2cc3c(c(C)c12)C(C)(C)CCC3
InChIInChI=1S/C16H19BrO/c1-9-13-10(2)15(17)18-12(13)8-11-6-5-7-16(3,4)14(9)11/h8H,5-7H2,1-4H3
InChIKeyUTODTYLOEHSGRW-UHFFFAOYSA-N
MW307.23 g/mol
LogP5.43
Rot. Bonds

About 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran

2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran (PubChem CID 175575933) has the molecular formula C16H19BrO and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran.

Molecular Properties

Compound Name2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran
PubChem CID175575933
Molecular FormulaC16H19BrO
Molecular Weight307.23 g/mol
Exact Mass306.06
IUPAC Name2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran
SMILESCc1c(Br)oc2cc3c(c(C)c12)C(C)(C)CCC3
InChIInChI=1S/C16H19BrO/c1-9-13-10(2)15(17)18-12(13)8-11-6-5-7-16(3,4)14(9)11/h8H,5-7H2,1-4H3
InChIKeyUTODTYLOEHSGRW-UHFFFAOYSA-N
XLogP5.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzo(b)naphtho(1,2-d)furan
CID 268932
6,7-Dihydro-1,5,8-trimethylnaphtho(2,1-b)furan
CID 12314812
1-Bromo-6-(2-butyl-benzofuran-3-ylmethyl)-naphthalen-2-ol
CID 9909415
Dinaphtho(1,2-b:1',2'-d)furan
CID 622697
(S)-Curzeone
CID 131751498
2-(2-Bromophenyl)-5-methyl-1-benzofuran
CID 145979739
2-(3-Bromophenyl)-5-methyl-1-benzofuran
CID 145992909
2-(4-Bromophenyl)-7-methyl-1-benzofuran
CID 145993460
6-(2-Butyl-benzofuran-3-ylmethyl)-naphthalen-2-ol
CID 9949406
Sucutinirane D
CID 44139494
1-[(4aR,8S,8aR)-8,8a-dimethyl-3-[[(5S)-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl]oxy]-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]ethanone
CID 46193475

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran?
The IUPAC name of 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran (CID 175575933) is 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran.
What is the SMILES notation for 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran?
The canonical SMILES for 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran is Cc1c(Br)oc2cc3c(c(C)c12)C(C)(C)CCC3.
What is the InChIKey of 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran?
The InChIKey is UTODTYLOEHSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO/c1-9-13-10(2)15(17)18-12(13)8-11-6-5-7-16(3,4)14(9)11/h8H,5-7H2,1-4H3.
What are the key properties of 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran?
2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran has a molecular weight of 307.23 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5,5-tetramethyl-7,8-dihydro-6H-benzo[f][1]benzofuran is sourced from PubChem (CID 175575933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).