1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol

C15H23BrO2 — CID 63832427

IUPAC1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1ccc(Br)cc1C(O)CC(C)C(C)(C)C
InChIInChI=1S/C15H23BrO2/c1-10(15(2,3)4)8-13(17)12-9-11(16)6-7-14(12)18-5/h6-7,9-10,13,17H,8H2,1-5H3
InChIKeyACCPWTQTPFUCCO-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.56
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol

1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol (PubChem CID 63832427) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
PubChem CID63832427
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1ccc(Br)cc1C(O)CC(C)C(C)(C)C
InChIInChI=1S/C15H23BrO2/c1-10(15(2,3)4)8-13(17)12-9-11(16)6-7-14(12)18-5/h6-7,9-10,13,17H,8H2,1-5H3
InChIKeyACCPWTQTPFUCCO-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-1-methoxybenzene
CID 63832446
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
4-bromo-2-(1-bromo-3,3-dimethylbutyl)-1-methoxybenzene
CID 63435538
1-(5-bromo-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 65145489
N-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]acetamide
CID 82124397
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol (CID 63832427) is 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol is COc1ccc(Br)cc1C(O)CC(C)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The InChIKey is ACCPWTQTPFUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-10(15(2,3)4)8-13(17)12-9-11(16)6-7-14(12)18-5/h6-7,9-10,13,17H,8H2,1-5H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol has a molecular weight of 315.25 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 63832427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).