(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C14H18ClNO3 — CID 71973264

IUPAC(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C14H18ClNO3/c1-2-7-19-13-4-3-10(15)8-12(13)14(18)16-6-5-11(17)9-16/h3-4,8,11,17H,2,5-7,9H2,1H3/t11-/m0/s1
InChIKeyRFROAIDMNWILQY-NSHDSACASA-N
MW283.75 g/mol
LogP2.34
Rot. Bonds4

About (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 71973264) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID71973264
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C14H18ClNO3/c1-2-7-19-13-4-3-10(15)8-12(13)14(18)16-6-5-11(17)9-16/h3-4,8,11,17H,2,5-7,9H2,1H3/t11-/m0/s1
InChIKeyRFROAIDMNWILQY-NSHDSACASA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 166269754
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 71862158
5-chloro-2-propoxybenzoyl chloride
CID 12863236
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 71973264) is (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](O)C1.
What is the InChIKey of (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is RFROAIDMNWILQY-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-7-19-13-4-3-10(15)8-12(13)14(18)16-6-5-11(17)9-16/h3-4,8,11,17H,2,5-7,9H2,1H3/t11-/m0/s1.
What are the key properties of (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 283.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 71973264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).