(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol

C11H15ClO2 — CID 94256955

IUPAC(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1[C@H](O)CCCCl
InChIInChI=1S/C11H15ClO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7,10,13H,4,6,8H2,1H3/t10-/m1/s1
InChIKeyAYEUDZFLEYKYTN-SNVBAGLBSA-N
MW214.69 g/mol
LogP2.75
Rot. Bonds5

About (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol

(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol (PubChem CID 94256955) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
PubChem CID94256955
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1[C@H](O)CCCCl
InChIInChI=1S/C11H15ClO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7,10,13H,4,6,8H2,1H3/t10-/m1/s1
InChIKeyAYEUDZFLEYKYTN-SNVBAGLBSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
ethyl 5-chloro-2-(2-methoxyphenyl)pentanimidate
CID 91100627
2-[2-(hydroxymethyl)phenyl]-1-(2-methoxyphenyl)ethanol
CID 102015925
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345

Frequently Asked Questions

What is the IUPAC name of (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol (CID 94256955) is (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol is COc1ccccc1[C@H](O)CCCCl.
What is the InChIKey of (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol?
The InChIKey is AYEUDZFLEYKYTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7,10,13H,4,6,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol?
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 94256955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).