2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran

C19H19BrO — CID 102498604

IUPAC2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran
SMILESCC1(C)C=C(c2ccccc2)CC(c2ccc(Br)cc2)O1
InChIInChI=1S/C19H19BrO/c1-19(2)13-16(14-6-4-3-5-7-14)12-18(21-19)15-8-10-17(20)11-9-15/h3-11,13,18H,12H2,1-2H3
InChIKeyPOKREBZINYSKMY-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.77
Rot. Bonds2

About 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran

2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran (PubChem CID 102498604) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran
PubChem CID102498604
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran
SMILESCC1(C)C=C(c2ccccc2)CC(c2ccc(Br)cc2)O1
InChIInChI=1S/C19H19BrO/c1-19(2)13-16(14-6-4-3-5-7-14)12-18(21-19)15-8-10-17(20)11-9-15/h3-11,13,18H,12H2,1-2H3
InChIKeyPOKREBZINYSKMY-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2444
Embramine
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Bromodiphenhydramine Hydrochloride
CID 519514
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CID 62342
Bromadryl
CID 13059512
p-Bromobenzhydryl alcohol
CID 98221
2-(4-Bromophenyl)oxirane
CID 119460
Diphenylmethyl propyl ether
CID 4651659
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
2-(4-Bromophenyl)oxolane
CID 14653181

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran?
The IUPAC name of 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran (CID 102498604) is 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran.
What is the SMILES notation for 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran?
The canonical SMILES for 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran is CC1(C)C=C(c2ccccc2)CC(c2ccc(Br)cc2)O1.
What is the InChIKey of 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran?
The InChIKey is POKREBZINYSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c1-19(2)13-16(14-6-4-3-5-7-14)12-18(21-19)15-8-10-17(20)11-9-15/h3-11,13,18H,12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran?
2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran has a molecular weight of 343.26 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,6-dimethyl-4-phenyl-2,3-dihydropyran is sourced from PubChem (CID 102498604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).