2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol

C10H13ClO4 — CID 104666066

IUPAC2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
SMILESCOc1cc(Cl)cc(CO)c1OCCO
InChIInChI=1S/C10H13ClO4/c1-14-9-5-8(11)4-7(6-13)10(9)15-3-2-12/h4-5,12-13H,2-3,6H2,1H3
InChIKeyBYHGAVQAEOPVSZ-UHFFFAOYSA-N
MW232.66 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol (PubChem CID 104666066) has the molecular formula C10H13ClO4 and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
PubChem CID104666066
Molecular FormulaC10H13ClO4
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
SMILESCOc1cc(Cl)cc(CO)c1OCCO
InChIInChI=1S/C10H13ClO4/c1-14-9-5-8(11)4-7(6-13)10(9)15-3-2-12/h4-5,12-13H,2-3,6H2,1H3
InChIKeyBYHGAVQAEOPVSZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
3-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 104665899
[5-chloro-2-[(2,5-dichlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 104665993
[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 113438824
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
2-[2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]ethoxy]ethanol
CID 104664875
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol?
The IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol (CID 104666066) is 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol is COc1cc(Cl)cc(CO)c1OCCO.
What is the InChIKey of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol?
The InChIKey is BYHGAVQAEOPVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4/c1-14-9-5-8(11)4-7(6-13)10(9)15-3-2-12/h4-5,12-13H,2-3,6H2,1H3.
What are the key properties of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol?
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol has a molecular weight of 232.66 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol is sourced from PubChem (CID 104666066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).