1,3-dibromo-5-propoxybenzene

C9H10Br2O — CID 58270933

IUPAC1,3-dibromo-5-propoxybenzene
SMILESCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3
InChIKeyCVVSSGGZBPDVCC-UHFFFAOYSA-N
MW293.99 g/mol
LogP4.00
Rot. Bonds3

About 1,3-dibromo-5-propoxybenzene

1,3-dibromo-5-propoxybenzene (PubChem CID 58270933) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 1,3-dibromo-5-propoxybenzene.

Molecular Properties

Compound Name1,3-dibromo-5-propoxybenzene
PubChem CID58270933
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name1,3-dibromo-5-propoxybenzene
SMILESCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3
InChIKeyCVVSSGGZBPDVCC-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-propoxyphenyl)-trimethoxysilane
CID 59244027
2-(3,5-dibromophenoxy)ethanol
CID 125479638
1-bromo-3,5-diethoxybenzene
CID 150473293
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
3-bromo-5-octoxyaniline
CID 103588114
1,3-dibromo-5-[3-(4-bromophenoxy)propoxy]benzene
CID 59330896
4-(3,5-dibromophenoxy)butan-1-amine
CID 58473620
[3-bromo-5-(2-butoxyethoxy)phenyl]methanamine
CID 102814553
5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 11309135
1,3,5-tributoxybenzene
CID 15933337
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
(3,5-dipropoxyphenoxy)-trimethylsilane
CID 91732551

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-propoxybenzene?
The IUPAC name of 1,3-dibromo-5-propoxybenzene (CID 58270933) is 1,3-dibromo-5-propoxybenzene.
What is the SMILES notation for 1,3-dibromo-5-propoxybenzene?
The canonical SMILES for 1,3-dibromo-5-propoxybenzene is CCCOc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-propoxybenzene?
The InChIKey is CVVSSGGZBPDVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3.
What are the key properties of 1,3-dibromo-5-propoxybenzene?
1,3-dibromo-5-propoxybenzene has a molecular weight of 293.99 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-propoxybenzene is sourced from PubChem (CID 58270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).