(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol

C13H17BrO3 — CID 106929847

IUPAC(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCOCC1CC1
InChIInChI=1S/C13H17BrO3/c1-9(15)12-5-4-11(14)6-13(12)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyRQZUYACIBAWUKA-SECBINFHSA-N
MW301.18 g/mol
LogP3.27
Rot. Bonds6

About (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol

(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol (PubChem CID 106929847) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
PubChem CID106929847
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCOCC1CC1
InChIInChI=1S/C13H17BrO3/c1-9(15)12-5-4-11(14)6-13(12)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyRQZUYACIBAWUKA-SECBINFHSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
CID 106929334
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol (CID 106929847) is (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCOCC1CC1.
What is the InChIKey of (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol?
The InChIKey is RQZUYACIBAWUKA-SECBINFHSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-9(15)12-5-4-11(14)6-13(12)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol?
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol has a molecular weight of 301.18 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 106929847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).