(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol

C9H19ClO3 — CID 40610659

IUPAC(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
SMILESCCCCOCCOC[C@H](O)CCl
InChIInChI=1S/C9H19ClO3/c1-2-3-4-12-5-6-13-8-9(11)7-10/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyFAKYOCLCEHXDQD-SECBINFHSA-N
MW210.70 g/mol
LogP1.42
Rot. Bonds9

About (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol

(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol (PubChem CID 40610659) has the molecular formula C9H19ClO3 and a molecular weight of 210.70 g/mol. Its IUPAC name is (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
PubChem CID40610659
Molecular FormulaC9H19ClO3
Molecular Weight210.70 g/mol
Exact Mass210.10
IUPAC Name(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
SMILESCCCCOCCOC[C@H](O)CCl
InChIInChI=1S/C9H19ClO3/c1-2-3-4-12-5-6-13-8-9(11)7-10/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyFAKYOCLCEHXDQD-SECBINFHSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-1-butoxybutan-2-ol
CID 27255938
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol?
The IUPAC name of (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol (CID 40610659) is (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol.
What is the SMILES notation for (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol?
The canonical SMILES for (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol is CCCCOCCOC[C@H](O)CCl.
What is the InChIKey of (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol?
The InChIKey is FAKYOCLCEHXDQD-SECBINFHSA-N. The full InChI is InChI=1S/C9H19ClO3/c1-2-3-4-12-5-6-13-8-9(11)7-10/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol?
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol has a molecular weight of 210.70 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol is sourced from PubChem (CID 40610659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).