1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol

C13H17BrO2 — CID 117459055

IUPAC1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
SMILESCc1cc(Br)c(OC2CC2)c(CC(C)O)c1
InChIInChI=1S/C13H17BrO2/c1-8-5-10(7-9(2)15)13(12(14)6-8)16-11-3-4-11/h5-6,9,11,15H,3-4,7H2,1-2H3
InChIKeyDLQYUMQVMHXOCB-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol

1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol (PubChem CID 117459055) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
PubChem CID117459055
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
SMILESCc1cc(Br)c(OC2CC2)c(CC(C)O)c1
InChIInChI=1S/C13H17BrO2/c1-8-5-10(7-9(2)15)13(12(14)6-8)16-11-3-4-11/h5-6,9,11,15H,3-4,7H2,1-2H3
InChIKeyDLQYUMQVMHXOCB-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butanal
CID 117478598
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
CID 117455029
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
CID 129065841
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol (CID 117459055) is 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol is Cc1cc(Br)c(OC2CC2)c(CC(C)O)c1.
What is the InChIKey of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol?
The InChIKey is DLQYUMQVMHXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-8-5-10(7-9(2)15)13(12(14)6-8)16-11-3-4-11/h5-6,9,11,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol?
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol has a molecular weight of 285.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 117459055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).