2-(3-chlorophenoxy)propane-1,3-diol

C9H11ClO3 — CID 137319969

IUPAC2-(3-chlorophenoxy)propane-1,3-diol
SMILESOCC(CO)Oc1cccc(Cl)c1
InChIInChI=1S/C9H11ClO3/c10-7-2-1-3-8(4-7)13-9(5-11)6-12/h1-4,9,11-12H,5-6H2
InChIKeyHRBKRNYDHLKOOG-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.07
Rot. Bonds4

About 2-(3-chlorophenoxy)propane-1,3-diol

2-(3-chlorophenoxy)propane-1,3-diol (PubChem CID 137319969) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)propane-1,3-diol
PubChem CID137319969
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name2-(3-chlorophenoxy)propane-1,3-diol
SMILESOCC(CO)Oc1cccc(Cl)c1
InChIInChI=1S/C9H11ClO3/c10-7-2-1-3-8(4-7)13-9(5-11)6-12/h1-4,9,11-12H,5-6H2
InChIKeyHRBKRNYDHLKOOG-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)propane-1,3-diol?
The IUPAC name of 2-(3-chlorophenoxy)propane-1,3-diol (CID 137319969) is 2-(3-chlorophenoxy)propane-1,3-diol.
What is the SMILES notation for 2-(3-chlorophenoxy)propane-1,3-diol?
The canonical SMILES for 2-(3-chlorophenoxy)propane-1,3-diol is OCC(CO)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)propane-1,3-diol?
The InChIKey is HRBKRNYDHLKOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c10-7-2-1-3-8(4-7)13-9(5-11)6-12/h1-4,9,11-12H,5-6H2.
What are the key properties of 2-(3-chlorophenoxy)propane-1,3-diol?
2-(3-chlorophenoxy)propane-1,3-diol has a molecular weight of 202.64 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)propane-1,3-diol is sourced from PubChem (CID 137319969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).