1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene

C13H17BrO — CID 130323975

IUPAC1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
SMILESCCOc1c(Br)cccc1[C@H](C)C1CC1
InChIInChI=1S/C13H17BrO/c1-3-15-13-11(5-4-6-12(13)14)9(2)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyIEDLZGIXCBRHSW-SECBINFHSA-N
MW269.18 g/mol
LogP4.36
Rot. Bonds4

About 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene

1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene (PubChem CID 130323975) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene.

Molecular Properties

Compound Name1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
PubChem CID130323975
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
SMILESCCOc1c(Br)cccc1[C@H](C)C1CC1
InChIInChI=1S/C13H17BrO/c1-3-15-13-11(5-4-6-12(13)14)9(2)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyIEDLZGIXCBRHSW-SECBINFHSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
CID 118951939
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
CID 144742858
3-bromo-2-ethoxybenzenethiol
CID 91874337
disodium;[2-[(1S)-1-cyclopropylethyl]-6-[(1R)-1-cyclopropylethyl]phenoxy]methyl phosphate
CID 118899012
[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
CID 139310380
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
CID 134618841
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
CID 118911669
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene?
The IUPAC name of 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene (CID 130323975) is 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene.
What is the SMILES notation for 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene?
The canonical SMILES for 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene is CCOc1c(Br)cccc1[C@H](C)C1CC1.
What is the InChIKey of 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene?
The InChIKey is IEDLZGIXCBRHSW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17BrO/c1-3-15-13-11(5-4-6-12(13)14)9(2)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene?
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene has a molecular weight of 269.18 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene is sourced from PubChem (CID 130323975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).