1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone

C23H19FO5 — CID 71158672

IUPAC1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
SMILESCOc1cc2c(cc1OCc1ccc(F)cc1)O[C@H](O)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C23H19FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11,23,26H,12H2,1-2H3/t23-/m0/s1
InChIKeyGIPHWOKXSCTKSZ-QHCPKHFHSA-N
MW394.40 g/mol
LogP4.67
Rot. Bonds5

About 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone

1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone (PubChem CID 71158672) has the molecular formula C23H19FO5 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
PubChem CID71158672
Molecular FormulaC23H19FO5
Molecular Weight394.40 g/mol
Exact Mass394.12
IUPAC Name1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
SMILESCOc1cc2c(cc1OCc1ccc(F)cc1)O[C@H](O)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C23H19FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11,23,26H,12H2,1-2H3/t23-/m0/s1
InChIKeyGIPHWOKXSCTKSZ-QHCPKHFHSA-N
XLogP4.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone
CID 123611279
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
CID 11999750
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
CID 99634944
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126184010
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone?
The IUPAC name of 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone (CID 71158672) is 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone.
What is the SMILES notation for 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone?
The canonical SMILES for 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone is COc1cc2c(cc1OCc1ccc(F)cc1)O[C@H](O)c1cc(C(C)=O)ccc1-2.
What is the InChIKey of 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone?
The InChIKey is GIPHWOKXSCTKSZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11,23,26H,12H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone?
1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone has a molecular weight of 394.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone is sourced from PubChem (CID 71158672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).