[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol

C19H22ClNO2 — CID 23553243

IUPAC[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c20-18-14-16(23-13-12-21-10-4-5-11-21)8-9-17(18)19(22)15-6-2-1-3-7-15/h1-3,6-9,14,19,22H,4-5,10-13H2
InChIKeyFLCSTDSGLDDDKO-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.90
Rot. Bonds6

About [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol

[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol (PubChem CID 23553243) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
PubChem CID23553243
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c20-18-14-16(23-13-12-21-10-4-5-11-21)8-9-17(18)19(22)15-6-2-1-3-7-15/h1-3,6-9,14,19,22H,4-5,10-13H2
InChIKeyFLCSTDSGLDDDKO-UHFFFAOYSA-N
XLogP3.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553272
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
CID 21253259
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The IUPAC name of [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol (CID 23553243) is [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol.
What is the SMILES notation for [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The canonical SMILES for [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol is OC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1Cl.
What is the InChIKey of [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The InChIKey is FLCSTDSGLDDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-18-14-16(23-13-12-21-10-4-5-11-21)8-9-17(18)19(22)15-6-2-1-3-7-15/h1-3,6-9,14,19,22H,4-5,10-13H2.
What are the key properties of [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol has a molecular weight of 331.84 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol is sourced from PubChem (CID 23553243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).