1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene

C10H10BrClO — CID 84710578

IUPAC1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
SMILESCc1cc(Cl)c(OC2CC2)c(Br)c1
InChIInChI=1S/C10H10BrClO/c1-6-4-8(11)10(9(12)5-6)13-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyNBMOFIAUFBCBNW-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.95
Rot. Bonds2

About 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene

1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene (PubChem CID 84710578) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
PubChem CID84710578
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
SMILESCc1cc(Cl)c(OC2CC2)c(Br)c1
InChIInChI=1S/C10H10BrClO/c1-6-4-8(11)10(9(12)5-6)13-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyNBMOFIAUFBCBNW-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
CID 117455029
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117394961
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117387789
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117493897
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butanal
CID 117478598

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene?
The IUPAC name of 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene (CID 84710578) is 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene?
The canonical SMILES for 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene is Cc1cc(Cl)c(OC2CC2)c(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene?
The InChIKey is NBMOFIAUFBCBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6-4-8(11)10(9(12)5-6)13-7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene?
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene has a molecular weight of 261.55 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene is sourced from PubChem (CID 84710578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).