(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene

C23H21BrO3 — CID 42645227

IUPAC(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)c(Br)cc32)cc1
InChIInChI=1S/C23H21BrO3/c1-25-17-10-8-15(9-11-17)18-13-21(16-6-4-3-5-7-16)27-22-14-23(26-2)20(24)12-19(18)22/h3-12,14,18,21H,13H2,1-2H3/t18-,21+/m0/s1
InChIKeyKWDZSYQHAOVLRK-GHTZIAJQSA-N
MW425.32 g/mol
LogP6.12
Rot. Bonds4

About (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene

(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 42645227) has the molecular formula C23H21BrO3 and a molecular weight of 425.32 g/mol. Its IUPAC name is (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID42645227
Molecular FormulaC23H21BrO3
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)c(Br)cc32)cc1
InChIInChI=1S/C23H21BrO3/c1-25-17-10-8-15(9-11-17)18-13-21(16-6-4-3-5-7-16)27-22-14-23(26-2)20(24)12-19(18)22/h3-12,14,18,21H,13H2,1-2H3/t18-,21+/m0/s1
InChIKeyKWDZSYQHAOVLRK-GHTZIAJQSA-N
XLogP6.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
CID 25135888
2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 69262999
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene (CID 42645227) is (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene is COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)c(Br)cc32)cc1.
What is the InChIKey of (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is KWDZSYQHAOVLRK-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H21BrO3/c1-25-17-10-8-15(9-11-17)18-13-21(16-6-4-3-5-7-16)27-22-14-23(26-2)20(24)12-19(18)22/h3-12,14,18,21H,13H2,1-2H3/t18-,21+/m0/s1.
What are the key properties of (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene?
(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 425.32 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 42645227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).