(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol

C10H13BrO2 — CID 102948595

IUPAC(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
SMILESCCOc1cc(Br)ccc1[C@@H](C)O
InChIInChI=1S/C10H13BrO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyLUJHFVDUTGUCDC-SSDOTTSWSA-N
MW245.12 g/mol
LogP2.90
Rot. Bonds3

About (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol

(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol (PubChem CID 102948595) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
PubChem CID102948595
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
SMILESCCOc1cc(Br)ccc1[C@@H](C)O
InChIInChI=1S/C10H13BrO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyLUJHFVDUTGUCDC-SSDOTTSWSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
(1S)-1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
CID 107892395
1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
CID 107892388
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol (CID 102948595) is (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol is CCOc1cc(Br)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol?
The InChIKey is LUJHFVDUTGUCDC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-7,12H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol?
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-ethoxyphenyl)ethanol is sourced from PubChem (CID 102948595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).