(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol

C15H13FO2 — CID 167103391

IUPAC(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol
SMILESOCc1ccc2c(c1)CCOc1cc(F)ccc1-2
InChIInChI=1S/C15H13FO2/c16-12-2-4-14-13-3-1-10(9-17)7-11(13)5-6-18-15(14)8-12/h1-4,7-8,17H,5-6,9H2
InChIKeyGCEAETRBHVRJRD-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.92
Rot. Bonds1

About (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol

(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol (PubChem CID 167103391) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol
PubChem CID167103391
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol
SMILESOCc1ccc2c(c1)CCOc1cc(F)ccc1-2
InChIInChI=1S/C15H13FO2/c16-12-2-4-14-13-3-1-10(9-17)7-11(13)5-6-18-15(14)8-12/h1-4,7-8,17H,5-6,9H2
InChIKeyGCEAETRBHVRJRD-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
CID 144823127
1-(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)propan-1-one
CID 171048804
(2E)-2-[3-fluoro-8-(hydroxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
CID 86721376
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
CID 66348162
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
CID 144823151
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile
CID 167103423
[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol
CID 118343515
4-(4-bromo-8-fluoro-2,3-dihydro-1-benzoxepin-5-yl)phenol
CID 154585636
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol?
The IUPAC name of (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol (CID 167103391) is (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol.
What is the SMILES notation for (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol?
The canonical SMILES for (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol is OCc1ccc2c(c1)CCOc1cc(F)ccc1-2.
What is the InChIKey of (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol?
The InChIKey is GCEAETRBHVRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-12-2-4-14-13-3-1-10(9-17)7-11(13)5-6-18-15(14)8-12/h1-4,7-8,17H,5-6,9H2.
What are the key properties of (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol?
(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol has a molecular weight of 244.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol is sourced from PubChem (CID 167103391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).