6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene

C16H14Br2O — CID 63444189

IUPAC6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESBrc1ccc(C(Br)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H14Br2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2
InChIKeyGUJMQJWLNOLBOT-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.26
Rot. Bonds2

About 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene

6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63444189) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63444189
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESBrc1ccc(C(Br)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H14Br2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2
InChIKeyGUJMQJWLNOLBOT-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61098210
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026459
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene (CID 63444189) is 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene is Brc1ccc(C(Br)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is GUJMQJWLNOLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10,16H,1-2,9H2.
What are the key properties of 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene?
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 382.10 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63444189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).