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

C19H22FNO2 — CID 23553272

IUPAC[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C19H22FNO2/c20-17-14-16(19(22)15-6-2-1-3-7-15)8-9-18(17)23-13-12-21-10-4-5-11-21/h1-3,6-9,14,19,22H,4-5,10-13H2
InChIKeyBSVMJAKAWMOXBV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.38
Rot. Bonds6

About [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol

[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol (PubChem CID 23553272) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
PubChem CID23553272
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(OCCN2CCCC2)c(F)c1
InChIInChI=1S/C19H22FNO2/c20-17-14-16(19(22)15-6-2-1-3-7-15)8-9-18(17)23-13-12-21-10-4-5-11-21/h1-3,6-9,14,19,22H,4-5,10-13H2
InChIKeyBSVMJAKAWMOXBV-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.38
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
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553243
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 3066416
2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339007
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
1-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazole-3,5-diamine
CID 66694962
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The IUPAC name of [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol (CID 23553272) is [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol.
What is the SMILES notation for [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The canonical SMILES for [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol is OC(c1ccccc1)c1ccc(OCCN2CCCC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
The InChIKey is BSVMJAKAWMOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c20-17-14-16(19(22)15-6-2-1-3-7-15)8-9-18(17)23-13-12-21-10-4-5-11-21/h1-3,6-9,14,19,22H,4-5,10-13H2.
What are the key properties of [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol?
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol has a molecular weight of 315.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol is sourced from PubChem (CID 23553272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).