3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol

C18H19FO3 — CID 143335828

IUPAC3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol
SMILESCOC(CO)CC1Cc2cc(F)ccc2Oc2ccccc21
InChIInChI=1S/C18H19FO3/c1-21-15(11-20)10-12-8-13-9-14(19)6-7-17(13)22-18-5-3-2-4-16(12)18/h2-7,9,12,15,20H,8,10-11H2,1H3
InChIKeyFTHWLULIYARMRX-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.66
Rot. Bonds4

About 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol

3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol (PubChem CID 143335828) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol
PubChem CID143335828
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol
SMILESCOC(CO)CC1Cc2cc(F)ccc2Oc2ccccc21
InChIInChI=1S/C18H19FO3/c1-21-15(11-20)10-12-8-13-9-14(19)6-7-17(13)22-18-5-3-2-4-16(12)18/h2-7,9,12,15,20H,8,10-11H2,1H3
InChIKeyFTHWLULIYARMRX-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol with MolForge

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Related Compounds

(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
(3S)-3-benzyl-6-fluoro-3,4-dihydrochromen-2-one
CID 132519141
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79437375
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105003671
3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-ol
CID 78358085
2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N,N-dimethylethanamine
CID 14476073
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105003660
tert-butyl N-[(2-fluoro-6H-benzo[b][1,4]benzodioxepin-6-yl)methyl]carbamate
CID 165410078
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79433208

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol?
The IUPAC name of 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol (CID 143335828) is 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol.
What is the SMILES notation for 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol?
The canonical SMILES for 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol is COC(CO)CC1Cc2cc(F)ccc2Oc2ccccc21.
What is the InChIKey of 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol?
The InChIKey is FTHWLULIYARMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-21-15(11-20)10-12-8-13-9-14(19)6-7-17(13)22-18-5-3-2-4-16(12)18/h2-7,9,12,15,20H,8,10-11H2,1H3.
What are the key properties of 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol?
3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol has a molecular weight of 302.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol is sourced from PubChem (CID 143335828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).