1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol

C15H21BrO3 — CID 103560049

IUPAC1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
SMILESCOc1ccc(CC(O)CC2(OC)CCC2)cc1Br
InChIInChI=1S/C15H21BrO3/c1-18-14-5-4-11(9-13(14)16)8-12(17)10-15(19-2)6-3-7-15/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyMQBKDIUOXBMVHN-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.32
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol

1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol (PubChem CID 103560049) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
PubChem CID103560049
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
SMILESCOc1ccc(CC(O)CC2(OC)CCC2)cc1Br
InChIInChI=1S/C15H21BrO3/c1-18-14-5-4-11(9-13(14)16)8-12(17)10-15(19-2)6-3-7-15/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyMQBKDIUOXBMVHN-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
CID 115779517
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
2-(3-bromo-4-methoxyphenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105082243
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115817865
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol (CID 103560049) is 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol is COc1ccc(CC(O)CC2(OC)CCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The InChIKey is MQBKDIUOXBMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-18-14-5-4-11(9-13(14)16)8-12(17)10-15(19-2)6-3-7-15/h4-5,9,12,17H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol has a molecular weight of 329.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol is sourced from PubChem (CID 103560049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).