2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene

C14H18O3 — CID 139962317

IUPAC2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CCC(OC1CCCCO1)O2
InChIInChI=1S/C14H18O3/c1-2-6-12-11(5-1)8-9-14(16-12)17-13-7-3-4-10-15-13/h1-2,5-6,13-14H,3-4,7-10H2
InChIKeyRNVQEEPKXPDTCG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.88
Rot. Bonds2

About 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene

2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene (PubChem CID 139962317) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
PubChem CID139962317
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CCC(OC1CCCCO1)O2
InChIInChI=1S/C14H18O3/c1-2-6-12-11(5-1)8-9-14(16-12)17-13-7-3-4-10-15-13/h1-2,5-6,13-14H,3-4,7-10H2
InChIKeyRNVQEEPKXPDTCG-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
2-phenoxy-3,4-dihydro-2H-chromene
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(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
3,4-dihydro-2H-chromen-2-yl trifluoromethanesulfonate
CID 19028100
2,3,4,5-tetrahydro-1-benzoxepin-2-yl methanesulfonate
CID 139878584
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
isoquinoline;2-(oxan-2-yloxy)oxane
CID 174581764
(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 175727284
3,4-dihydro-2H-chromen-2-yl phenyl carbonate
CID 54471598
1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
CID 154341753
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene (CID 139962317) is 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene is c1ccc2c(c1)CCC(OC1CCCCO1)O2.
What is the InChIKey of 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene?
The InChIKey is RNVQEEPKXPDTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-6-12-11(5-1)8-9-14(16-12)17-13-7-3-4-10-15-13/h1-2,5-6,13-14H,3-4,7-10H2.
What are the key properties of 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene?
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene has a molecular weight of 234.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 139962317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).