1-bromo-3-methyl-2-propoxybenzene

C10H13BrO — CID 58352154

IUPAC1-bromo-3-methyl-2-propoxybenzene
SMILESCCCOc1c(C)cccc1Br
InChIInChI=1S/C10H13BrO/c1-3-7-12-10-8(2)5-4-6-9(10)11/h4-6H,3,7H2,1-2H3
InChIKeyNANJYEBOGHNIGC-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.55
Rot. Bonds3

About 1-bromo-3-methyl-2-propoxybenzene

1-bromo-3-methyl-2-propoxybenzene (PubChem CID 58352154) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-3-methyl-2-propoxybenzene.

Molecular Properties

Compound Name1-bromo-3-methyl-2-propoxybenzene
PubChem CID58352154
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-3-methyl-2-propoxybenzene
SMILESCCCOc1c(C)cccc1Br
InChIInChI=1S/C10H13BrO/c1-3-7-12-10-8(2)5-4-6-9(10)11/h4-6H,3,7H2,1-2H3
InChIKeyNANJYEBOGHNIGC-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-propoxybenzene
CID 579040
1-bromo-2,3-dipropoxybenzene
CID 91157628
ethane;3-methyl-2-propoxyphenol
CID 143473467
1,3-dibromo-2-hexoxybenzene
CID 101293505
2-decoxy-1,3-dimethylbenzene
CID 83057478
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
3-bromo-2-butoxybenzaldehyde
CID 61390829
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-2-propoxybenzene?
The IUPAC name of 1-bromo-3-methyl-2-propoxybenzene (CID 58352154) is 1-bromo-3-methyl-2-propoxybenzene.
What is the SMILES notation for 1-bromo-3-methyl-2-propoxybenzene?
The canonical SMILES for 1-bromo-3-methyl-2-propoxybenzene is CCCOc1c(C)cccc1Br.
What is the InChIKey of 1-bromo-3-methyl-2-propoxybenzene?
The InChIKey is NANJYEBOGHNIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-7-12-10-8(2)5-4-6-9(10)11/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-bromo-3-methyl-2-propoxybenzene?
1-bromo-3-methyl-2-propoxybenzene has a molecular weight of 229.12 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-2-propoxybenzene is sourced from PubChem (CID 58352154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).