ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C20H18O3 — CID 18943279

IUPACethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1ccccc1.c1ccc(Oc2cc3ccc2o3)cc1
InChIInChI=1S/C12H8O2.C8H10O/c1-2-4-9(5-3-1)13-12-8-10-6-7-11(12)14-10;1-2-9-8-6-4-3-5-7-8/h1-8H;3-7H,2H2,1H3
InChIKeyYFSHCNSOQNORCV-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.75
Rot. Bonds4

About ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 18943279) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Nameethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID18943279
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1ccccc1.c1ccc(Oc2cc3ccc2o3)cc1
InChIInChI=1S/C12H8O2.C8H10O/c1-2-4-9(5-3-1)13-12-8-10-6-7-11(12)14-10;1-2-9-8-6-4-3-5-7-8/h1-8H;3-7H,2H2,1H3
InChIKeyYFSHCNSOQNORCV-UHFFFAOYSA-N
XLogP5.75
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate
CID 18943265
2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943225
ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943224
ethoxybenzene chloride
CID 21193593
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene tetrafluoroborate
CID 174807216
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
ethoxybenzene;propoxybenzene
CID 67747691
3-N,7-N-bis(4-ethoxyphenyl)-3-N,7-N-diphenyldibenzofuran-3,7-diamine
CID 59103427
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 18943279) is ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CCOc1ccccc1.c1ccc(Oc2cc3ccc2o3)cc1.
What is the InChIKey of ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is YFSHCNSOQNORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.C8H10O/c1-2-4-9(5-3-1)13-12-8-10-6-7-11(12)14-10;1-2-9-8-6-4-3-5-7-8/h1-8H;3-7H,2H2,1H3.
What are the key properties of ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 306.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 18943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).