3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol

C23H19BrO2 — CID 123871690

IUPAC3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol
SMILESCC1=C(c2cccc(Br)c2)C(c2ccc(C)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C23H19BrO2/c1-14-6-8-16(9-7-14)23-22(17-4-3-5-18(24)12-17)15(2)20-13-19(25)10-11-21(20)26-23/h3-13,23,25H,1-2H3
InChIKeyIVNGYNQXZVKUJH-UHFFFAOYSA-N
MW407.31 g/mol
LogP6.53
Rot. Bonds2

About 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol

3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol (PubChem CID 123871690) has the molecular formula C23H19BrO2 and a molecular weight of 407.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol
PubChem CID123871690
Molecular FormulaC23H19BrO2
Molecular Weight407.31 g/mol
Exact Mass406.06
IUPAC Name3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol
SMILESCC1=C(c2cccc(Br)c2)C(c2ccc(C)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C23H19BrO2/c1-14-6-8-16(9-7-14)23-22(17-4-3-5-18(24)12-17)15(2)20-13-19(25)10-11-21(20)26-23/h3-13,23,25H,1-2H3
InChIKeyIVNGYNQXZVKUJH-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

8-Bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
CID 73051100
Benzene, 1-(4-bromophenoxy)-3-((2-(4-methylphenyl)-2-methylpropoxy)methyl)-
CID 3067140
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067146
Rpogcbigullxeb-cjnglkhvsa-
CID 21635696
8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 9981747
(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol
CID 137332066
2-Bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-1-methylbenzene
CID 23313953
4-[2-[2-[(2-Bromophenyl)methoxy]ethyl]-3-[2-[[2-bromo-4-(trifluoromethyl)phenyl]methoxy]ethyl]phenoxy]phenol
CID 56628524
2-[2-[2-(4-Bromophenoxy)-5-fluorophenyl]ethyl]-4-methoxyphenol
CID 58185161
7-bromo-4-fluoro-2-methoxy-9-vinyl-9H-xanthen-9-ol
CID 67382954
(9Z)-7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
CID 67383280
7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)-9H-xanthene
CID 67383282

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol?
The IUPAC name of 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol (CID 123871690) is 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol.
What is the SMILES notation for 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol?
The canonical SMILES for 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol is CC1=C(c2cccc(Br)c2)C(c2ccc(C)cc2)Oc2ccc(O)cc21.
What is the InChIKey of 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol?
The InChIKey is IVNGYNQXZVKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrO2/c1-14-6-8-16(9-7-14)23-22(17-4-3-5-18(24)12-17)15(2)20-13-19(25)10-11-21(20)26-23/h3-13,23,25H,1-2H3.
What are the key properties of 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol?
3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol has a molecular weight of 407.31 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-6-ol is sourced from PubChem (CID 123871690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).