3-(3-chlorophenyl)butan-2-ol

C10H13ClO — CID 66437186

IUPAC3-(3-chlorophenyl)butan-2-ol
SMILESCC(O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-8,12H,1-2H3
InChIKeyBCPRAZUHFGKRHP-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.82
Rot. Bonds2

About 3-(3-chlorophenyl)butan-2-ol

3-(3-chlorophenyl)butan-2-ol (PubChem CID 66437186) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)butan-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)butan-2-ol
PubChem CID66437186
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name3-(3-chlorophenyl)butan-2-ol
SMILESCC(O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-8,12H,1-2H3
InChIKeyBCPRAZUHFGKRHP-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
(3-chlorophenyl)methanediol
CID 20679602
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
5-(3-chlorophenyl)hexane-2,3-diol
CID 83924628
(3-chlorophenyl)-fluoromethanol
CID 70239224
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810
1-chloro-3-[(2R,3S)-3-nitrobutan-2-yl]benzene
CID 101125735
1-chloro-3-(3-methylhex-4-yn-2-yl)benzene
CID 83924597
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)butan-2-ol?
The IUPAC name of 3-(3-chlorophenyl)butan-2-ol (CID 66437186) is 3-(3-chlorophenyl)butan-2-ol.
What is the SMILES notation for 3-(3-chlorophenyl)butan-2-ol?
The canonical SMILES for 3-(3-chlorophenyl)butan-2-ol is CC(O)C(C)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)butan-2-ol?
The InChIKey is BCPRAZUHFGKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-8,12H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)butan-2-ol?
3-(3-chlorophenyl)butan-2-ol has a molecular weight of 184.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)butan-2-ol is sourced from PubChem (CID 66437186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).