1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran

C17H12O2 — CID 102518154

IUPAC1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran
SMILESCc1oc2ccc3ccccc3c2c1-c1ccco1
InChIInChI=1S/C17H12O2/c1-11-16(14-7-4-10-18-14)17-13-6-3-2-5-12(13)8-9-15(17)19-11/h2-10H,1H3
InChIKeyUOVGITGAQYIGAW-UHFFFAOYSA-N
MW248.28 g/mol
LogP5.15
Rot. Bonds1

About 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran

1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran (PubChem CID 102518154) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran
PubChem CID102518154
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran
SMILESCc1oc2ccc3ccccc3c2c1-c1ccco1
InChIInChI=1S/C17H12O2/c1-11-16(14-7-4-10-18-14)17-13-6-3-2-5-12(13)8-9-15(17)19-11/h2-10H,1H3
InChIKeyUOVGITGAQYIGAW-UHFFFAOYSA-N
XLogP5.15
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.28
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13085655
2-phenanthren-1-ylfuran
CID 142748745
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan
CID 139962742
1-(3-methylbut-1-enyl)benzo[e][1]benzofuran
CID 173339815
bis(2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)furan);zirconium(4+);dichloride
CID 18008354
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
2-methylbenzo[e][1,2]benzoxazol-1-one
CID 11412966
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
CID 101479276

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran?
The IUPAC name of 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran (CID 102518154) is 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran.
What is the SMILES notation for 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran?
The canonical SMILES for 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran is Cc1oc2ccc3ccccc3c2c1-c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran?
The InChIKey is UOVGITGAQYIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c1-11-16(14-7-4-10-18-14)17-13-6-3-2-5-12(13)8-9-15(17)19-11/h2-10H,1H3.
What are the key properties of 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran?
1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran has a molecular weight of 248.28 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran is sourced from PubChem (CID 102518154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).