1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C13H19ClO5 — CID 106991077

IUPAC1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(CO)cc1Cl
InChIInChI=1S/C13H19ClO5/c1-17-4-5-18-8-11(16)9-19-13-3-2-10(7-15)6-12(13)14/h2-3,6,11,15-16H,4-5,7-9H2,1H3
InChIKeyGORWCTTVCKYLLX-UHFFFAOYSA-N
MW290.74 g/mol
LogP1.24
Rot. Bonds9

About 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991077) has the molecular formula C13H19ClO5 and a molecular weight of 290.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991077
Molecular FormulaC13H19ClO5
Molecular Weight290.74 g/mol
Exact Mass290.09
IUPAC Name1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(CO)cc1Cl
InChIInChI=1S/C13H19ClO5/c1-17-4-5-18-8-11(16)9-19-13-3-2-10(7-15)6-12(13)14/h2-3,6,11,15-16H,4-5,7-9H2,1H3
InChIKeyGORWCTTVCKYLLX-UHFFFAOYSA-N
XLogP1.24
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[2-chloro-4-(hydroxymethyl)phenoxy]propan-2-ol
CID 107263397
3-chloro-4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990723
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988607
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
5-chloro-2-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzoic acid
CID 106988297
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
1-[2-(hydroxymethyl)-4-nitrophenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991054
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106991077) is 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1ccc(CO)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is GORWCTTVCKYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO5/c1-17-4-5-18-8-11(16)9-19-13-3-2-10(7-15)6-12(13)14/h2-3,6,11,15-16H,4-5,7-9H2,1H3.
What are the key properties of 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 290.74 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).