(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene

C19H18O3 — CID 6709973

IUPAC(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene
SMILESC1=C[C@H]2Oc3cc(OCc4ccccc4)ccc3C[C@@H]2OC1
InChIInChI=1S/C19H18O3/c1-2-5-14(6-3-1)13-21-16-9-8-15-11-19-17(7-4-10-20-19)22-18(15)12-16/h1-9,12,17,19H,10-11,13H2/t17-,19+/m1/s1
InChIKeyCBBZTYRBEPYMKW-MJGOQNOKSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds3

About (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene

(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene (PubChem CID 6709973) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene.

Molecular Properties

Compound Name(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene
PubChem CID6709973
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene
SMILESC1=C[C@H]2Oc3cc(OCc4ccccc4)ccc3C[C@@H]2OC1
InChIInChI=1S/C19H18O3/c1-2-5-14(6-3-1)13-21-16-9-8-15-11-19-17(7-4-10-20-19)22-18(15)12-16/h1-9,12,17,19H,10-11,13H2/t17-,19+/m1/s1
InChIKeyCBBZTYRBEPYMKW-MJGOQNOKSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
CID 158046955
CID 158046955
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271858
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
CID 173250848
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828

Frequently Asked Questions

What is the IUPAC name of (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene?
The IUPAC name of (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene (CID 6709973) is (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene.
What is the SMILES notation for (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene?
The canonical SMILES for (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene is C1=C[C@H]2Oc3cc(OCc4ccccc4)ccc3C[C@@H]2OC1.
What is the InChIKey of (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene?
The InChIKey is CBBZTYRBEPYMKW-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-5-14(6-3-1)13-21-16-9-8-15-11-19-17(7-4-10-20-19)22-18(15)12-16/h1-9,12,17,19H,10-11,13H2/t17-,19+/m1/s1.
What are the key properties of (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene?
(4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene has a molecular weight of 294.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aS)-7-phenylmethoxy-2,4a,10,10a-tetrahydropyrano[3,2-b]chromene is sourced from PubChem (CID 6709973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).