(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol

C11H15ClO — CID 165131162

IUPAC(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
SMILESC[C@H](c1cccc(Cl)c1)[C@@H](C)CO
InChIInChI=1S/C11H15ClO/c1-8(7-13)9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyNEKIHYHJDBNLGY-IUCAKERBSA-N
MW198.69 g/mol
LogP3.07
Rot. Bonds3

About (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol

(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol (PubChem CID 165131162) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
PubChem CID165131162
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
SMILESC[C@H](c1cccc(Cl)c1)[C@@H](C)CO
InChIInChI=1S/C11H15ClO/c1-8(7-13)9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyNEKIHYHJDBNLGY-IUCAKERBSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)butan-2-ol
CID 66437186
1-chloro-3-[(2R,3S)-3-nitrobutan-2-yl]benzene
CID 101125735
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
2-bromo-2-(3-chlorophenyl)ethanol
CID 22121388
1-chloro-3-(3-methylhex-4-yn-2-yl)benzene
CID 83924597
(3-chlorophenyl)methanediol
CID 20679602
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1S,2S)-1-(3-chlorophenyl)-2-(1-hydroxypropan-2-ylamino)propan-1-ol
CID 101431798
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol?
The IUPAC name of (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol (CID 165131162) is (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol.
What is the SMILES notation for (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol?
The canonical SMILES for (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol is C[C@H](c1cccc(Cl)c1)[C@@H](C)CO.
What is the InChIKey of (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol?
The InChIKey is NEKIHYHJDBNLGY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8(7-13)9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13H,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol?
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol has a molecular weight of 198.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 165131162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).