(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol

C17H13BrO2 — CID 114939575

IUPAC(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
SMILESOC(c1ccc(Br)o1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H13BrO2/c18-15-9-8-14(20-15)17(19)13-7-6-11-5-4-10-2-1-3-12(13)16(10)11/h1-3,6-9,17,19H,4-5H2
InChIKeyUHIJTVFDCGBBDC-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.38
Rot. Bonds2

About (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol

(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol (PubChem CID 114939575) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
PubChem CID114939575
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
SMILESOC(c1ccc(Br)o1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H13BrO2/c18-15-9-8-14(20-15)17(19)13-7-6-11-5-4-10-2-1-3-12(13)16(10)11/h1-3,6-9,17,19H,4-5H2
InChIKeyUHIJTVFDCGBBDC-UHFFFAOYSA-N
XLogP4.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 91678718
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
CID 114939555
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
(5-bromofuran-2-yl)-(2-methylphenyl)methanol
CID 63895016
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
CID 114939531
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
4-(1,2-dihydroacenaphthylen-5-yl)-3,4-dihydroxybutanenitrile
CID 171901902
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The IUPAC name of (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol (CID 114939575) is (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The canonical SMILES for (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol is OC(c1ccc(Br)o1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The InChIKey is UHIJTVFDCGBBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-15-9-8-14(20-15)17(19)13-7-6-11-5-4-10-2-1-3-12(13)16(10)11/h1-3,6-9,17,19H,4-5H2.
What are the key properties of (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol has a molecular weight of 329.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol is sourced from PubChem (CID 114939575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).