2-phenylmethoxy-2H-chromene

C16H14O2 — CID 11436351

IUPAC2-phenylmethoxy-2H-chromene
SMILESC1=CC(OCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H14O2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-11,16H,12H2
InChIKeyKHCPFELBCKLVDW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.64
Rot. Bonds3

About 2-phenylmethoxy-2H-chromene

2-phenylmethoxy-2H-chromene (PubChem CID 11436351) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenylmethoxy-2H-chromene.

Molecular Properties

Compound Name2-phenylmethoxy-2H-chromene
PubChem CID11436351
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-phenylmethoxy-2H-chromene
SMILESC1=CC(OCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H14O2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-11,16H,12H2
InChIKeyKHCPFELBCKLVDW-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
CID 86009822
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756
(3R,6S)-3-chloro-6-phenylmethoxy-3,6-dihydro-2H-pyran
CID 10846804
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(4aR,6S,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 51063373
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
(1R,2S,4R,5S)-3-chloro-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]oct-6-ene
CID 102431638

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-2H-chromene?
The IUPAC name of 2-phenylmethoxy-2H-chromene (CID 11436351) is 2-phenylmethoxy-2H-chromene.
What is the SMILES notation for 2-phenylmethoxy-2H-chromene?
The canonical SMILES for 2-phenylmethoxy-2H-chromene is C1=CC(OCc2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-phenylmethoxy-2H-chromene?
The InChIKey is KHCPFELBCKLVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-11,16H,12H2.
What are the key properties of 2-phenylmethoxy-2H-chromene?
2-phenylmethoxy-2H-chromene has a molecular weight of 238.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-2H-chromene is sourced from PubChem (CID 11436351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).