(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene

C17H14BrFO3 — CID 67383280

IUPAC(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
SMILESCOC/C=C1/c2cc(Br)ccc2Oc2c(F)cc(OC)cc21
InChIInChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3/b12-5-
InChIKeyAUCVJYUIMUGPEQ-XGICHPGQSA-N
MW365.20 g/mol
LogP4.78
Rot. Bonds3

About (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene

(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene (PubChem CID 67383280) has the molecular formula C17H14BrFO3 and a molecular weight of 365.20 g/mol. Its IUPAC name is (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene.

Molecular Properties

Compound Name(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
PubChem CID67383280
Molecular FormulaC17H14BrFO3
Molecular Weight365.20 g/mol
Exact Mass364.01
IUPAC Name(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
SMILESCOC/C=C1/c2cc(Br)ccc2Oc2c(F)cc(OC)cc21
InChIInChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3/b12-5-
InChIKeyAUCVJYUIMUGPEQ-XGICHPGQSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10856814
6-bromo-2-phenyl-2H-chromene
CID 44721340
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CID 3067123
Benzene, 4-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068482
Benzene, 2-(4-bromophenoxy)-4-((2-(4-ethoxyphenyl)-2-methylprpoxy)methyl)-1-fluoro-
CID 3068499
6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran
CID 15840550
6-bromo-3-(4-bromophenyl)-2H-chromene
CID 3009216
7-[(4-Bromophenoxy)methyl]-4-(trifluoromethyl)chromen-2-one
CID 155663346
6-Bromo-4,4-dimethylchroman
CID 10999147
6-Bromo-4,4-difluorochromane
CID 84706804
4-[(4-Bromophenoxy)methyl]-7-methylchromen-2-one
CID 25146131
1-bromo-2-[(E)-2-methoxyethenyl]-4-phenylmethoxybenzene
CID 172463253

Frequently Asked Questions

What is the IUPAC name of (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The IUPAC name of (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene (CID 67383280) is (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene.
What is the SMILES notation for (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The canonical SMILES for (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene is COC/C=C1/c2cc(Br)ccc2Oc2c(F)cc(OC)cc21.
What is the InChIKey of (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The InChIKey is AUCVJYUIMUGPEQ-XGICHPGQSA-N. The full InChI is InChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3/b12-5-.
What are the key properties of (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene has a molecular weight of 365.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene is sourced from PubChem (CID 67383280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).