7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran

C21H15BrO — CID 145373970

IUPAC7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
SMILESC=Cc1c(/C=C\C)c2c(oc3cccc(Br)c32)c2ccccc12
InChIInChI=1S/C21H15BrO/c1-3-8-15-13(4-2)14-9-5-6-10-16(14)21-19(15)20-17(22)11-7-12-18(20)23-21/h3-12H,2H2,1H3/b8-3-
InChIKeyRLQJLOSHGRAWAX-BAQGIRSFSA-N
MW363.25 g/mol
LogP7.18
Rot. Bonds2

About 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran

7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran (PubChem CID 145373970) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
PubChem CID145373970
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
SMILESC=Cc1c(/C=C\C)c2c(oc3cccc(Br)c32)c2ccccc12
InChIInChI=1S/C21H15BrO/c1-3-8-15-13(4-2)14-9-5-6-10-16(14)21-19(15)20-17(22)11-7-12-18(20)23-21/h3-12H,2H2,1H3/b8-3-
InChIKeyRLQJLOSHGRAWAX-BAQGIRSFSA-N
XLogP7.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
6,7-bis(ethenyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 166096190
2-[5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[2,1-b][1]benzofuran-10-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145243219
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
N-(9,9-dimethylfluoren-2-yl)-N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
CID 144907267
3-bromo-1,2-bis(ethenyl)dibenzofuran
CID 145377478
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran (CID 145373970) is 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran is C=Cc1c(/C=C\C)c2c(oc3cccc(Br)c32)c2ccccc12.
What is the InChIKey of 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran?
The InChIKey is RLQJLOSHGRAWAX-BAQGIRSFSA-N. The full InChI is InChI=1S/C21H15BrO/c1-3-8-15-13(4-2)14-9-5-6-10-16(14)21-19(15)20-17(22)11-7-12-18(20)23-21/h3-12H,2H2,1H3/b8-3-.
What are the key properties of 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran?
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 363.25 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 145373970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).