[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol

C13H15ClN2O2 — CID 114279063

IUPAC[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1cnn(CCOc2c(Cl)cccc2CO)c1
InChIInChI=1S/C13H15ClN2O2/c1-10-7-15-16(8-10)5-6-18-13-11(9-17)3-2-4-12(13)14/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyQFCSXSMUKNAZLR-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.42
Rot. Bonds5

About [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol

[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol (PubChem CID 114279063) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol
PubChem CID114279063
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1cnn(CCOc2c(Cl)cccc2CO)c1
InChIInChI=1S/C13H15ClN2O2/c1-10-7-15-16(8-10)5-6-18-13-11(9-17)3-2-4-12(13)14/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyQFCSXSMUKNAZLR-UHFFFAOYSA-N
XLogP2.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-chloro-2-methoxyphenyl)methanol
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[3-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
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1-[2-(2-chloroethoxy)ethyl]-4-methylpyrazole
CID 63664389
N-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol (CID 114279063) is [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol is Cc1cnn(CCOc2c(Cl)cccc2CO)c1.
What is the InChIKey of [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol?
The InChIKey is QFCSXSMUKNAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-10-7-15-16(8-10)5-6-18-13-11(9-17)3-2-4-12(13)14/h2-4,7-8,17H,5-6,9H2,1H3.
What are the key properties of [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol?
[3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 114279063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).