1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol

C13H17BrO2 — CID 117459052

IUPAC1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(Br)c(OCC2CC2)c1
InChIInChI=1S/C13H17BrO2/c1-9(15)6-11-4-5-12(14)13(7-11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeySXZTVWNBFXENTC-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol

1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol (PubChem CID 117459052) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
PubChem CID117459052
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(Br)c(OCC2CC2)c1
InChIInChI=1S/C13H17BrO2/c1-9(15)6-11-4-5-12(14)13(7-11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeySXZTVWNBFXENTC-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
2-[4-bromo-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84807749
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
5-bromo-4-(cyclopropylmethoxy)-2-methylpyridine
CID 144638458
4-[4-bromo-3-(cyclopropylmethoxy)phenyl]-4-hydroxybut-3-en-2-one
CID 125485318
2,4-bis[3-bromo-4-(cyclopropylmethoxy)phenyl]pentan-3-one
CID 150261941
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]propan-2-ol
CID 117483795
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889903
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol (CID 117459052) is 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol is CC(O)Cc1ccc(Br)c(OCC2CC2)c1.
What is the InChIKey of 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The InChIKey is SXZTVWNBFXENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-9(15)6-11-4-5-12(14)13(7-11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol?
1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol has a molecular weight of 285.18 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 117459052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).