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

C11H15ClO2 — CID 106820012

IUPAC(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
SMILESCCC[C@@H](O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H15ClO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyPFUFEFQSDSEAOS-SNVBAGLBSA-N
MW214.69 g/mol
LogP3.18
Rot. Bonds4

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

(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol (PubChem CID 106820012) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
PubChem CID106820012
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
SMILESCCC[C@@H](O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H15ClO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyPFUFEFQSDSEAOS-SNVBAGLBSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol (CID 106820012) is (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol is CCC[C@@H](O)c1ccc(Cl)cc1OC.
What is the InChIKey of (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The InChIKey is PFUFEFQSDSEAOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 106820012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).