5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene

C23H22O3 — CID 123448415

IUPAC5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc3c(c(OCc4ccccc4)c2)CCCO3)cc1
InChIInChI=1S/C23H22O3/c1-3-8-18(9-4-1)16-25-20-14-22-21(12-7-13-24-22)23(15-20)26-17-19-10-5-2-6-11-19/h1-6,8-11,14-15H,7,12-13,16-17H2
InChIKeyOTVBANPPHWXSBN-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.17
Rot. Bonds6

About 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene

5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene (PubChem CID 123448415) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
PubChem CID123448415
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc3c(c(OCc4ccccc4)c2)CCCO3)cc1
InChIInChI=1S/C23H22O3/c1-3-8-18(9-4-1)16-25-20-14-22-21(12-7-13-24-22)23(15-20)26-17-19-10-5-2-6-11-19/h1-6,8-11,14-15H,7,12-13,16-17H2
InChIKeyOTVBANPPHWXSBN-UHFFFAOYSA-N
XLogP5.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
CID 144528197
5,7-bis(phenylmethoxy)-4H-chromene
CID 25232853
3,5,7-tris(phenylmethoxy)-2H-chromene
CID 126510429
6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene
CID 175163587
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
7,9-bis(phenylmethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 3439552
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;1-cyclobutylpropan-1-one
CID 143387100
ethyl (5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-7-yl) carbonate
CID 22364456
5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid
CID 144528201
14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102077073

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene (CID 123448415) is 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene is c1ccc(COc2cc3c(c(OCc4ccccc4)c2)CCCO3)cc1.
What is the InChIKey of 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene?
The InChIKey is OTVBANPPHWXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-3-8-18(9-4-1)16-25-20-14-22-21(12-7-13-24-22)23(15-20)26-17-19-10-5-2-6-11-19/h1-6,8-11,14-15H,7,12-13,16-17H2.
What are the key properties of 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene?
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene has a molecular weight of 346.43 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 123448415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).