(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol

C11H11ClO3 — CID 104666169

IUPAC(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C11H11ClO3/c1-3-4-15-11-8(7-13)5-9(12)6-10(11)14-2/h1,5-6,13H,4,7H2,2H3
InChIKeyNYZYSDVXLLAIRD-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.85
Rot. Bonds4

About (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol

(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol (PubChem CID 104666169) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
PubChem CID104666169
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C11H11ClO3/c1-3-4-15-11-8(7-13)5-9(12)6-10(11)14-2/h1,5-6,13H,4,7H2,2H3
InChIKeyNYZYSDVXLLAIRD-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
3-(hydroxymethyl)-5-methoxy-4-prop-2-ynoxybenzoic acid
CID 89081793
5-chloro-3-methoxy-2-prop-2-ynoxybenzoic acid
CID 19693334
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
methyl 5-chloro-3-methoxy-2-prop-2-ynoxybenzoate
CID 19693335
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
[5-chloro-2-[(2,5-dichlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 104665993
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078
(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126116692
3-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 104665899

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol (CID 104666169) is (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol is C#CCOc1c(CO)cc(Cl)cc1OC.
What is the InChIKey of (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol?
The InChIKey is NYZYSDVXLLAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-3-4-15-11-8(7-13)5-9(12)6-10(11)14-2/h1,5-6,13H,4,7H2,2H3.
What are the key properties of (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol?
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol has a molecular weight of 226.66 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 104666169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).