7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene

C23H22O2 — CID 144528197

IUPAC7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc(Cc3ccccc3)cc3c2CCCO3)cc1
InChIInChI=1S/C23H22O2/c1-3-8-18(9-4-1)14-20-15-22-21(12-7-13-24-22)23(16-20)25-17-19-10-5-2-6-11-19/h1-6,8-11,15-16H,7,12-14,17H2
InChIKeyJOQCQGPLFDEPTB-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.18
Rot. Bonds5

About 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene

7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene (PubChem CID 144528197) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
PubChem CID144528197
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc(Cc3ccccc3)cc3c2CCCO3)cc1
InChIInChI=1S/C23H22O2/c1-3-8-18(9-4-1)14-20-15-22-21(12-7-13-24-22)23(16-20)25-17-19-10-5-2-6-11-19/h1-6,8-11,15-16H,7,12-14,17H2
InChIKeyJOQCQGPLFDEPTB-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene
CID 175163587
7-(iodomethyl)-5-(2-methoxyethoxy)-3,4-dihydro-2H-chromene
CID 143499870
6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 146246663
2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
CID 86709347
10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene
CID 54577288
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273161
4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
CID 146249900
5,7-bis(phenylmethoxy)-4H-chromene
CID 25232853
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
CID 172650789

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene (CID 144528197) is 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene is c1ccc(COc2cc(Cc3ccccc3)cc3c2CCCO3)cc1.
What is the InChIKey of 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene?
The InChIKey is JOQCQGPLFDEPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-3-8-18(9-4-1)14-20-15-22-21(12-7-13-24-22)23(16-20)25-17-19-10-5-2-6-11-19/h1-6,8-11,15-16H,7,12-14,17H2.
What are the key properties of 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene?
7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene has a molecular weight of 330.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 144528197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).