[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone

C21H18ClNO3 — CID 67203926

IUPAC[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(-c2ccc3cc(O)ccc3c2)c1)N1CCOCC1
InChIInChI=1S/C21H18ClNO3/c22-20-6-4-17(21(25)23-7-9-26-10-8-23)13-19(20)16-2-1-15-12-18(24)5-3-14(15)11-16/h1-6,11-13,24H,7-10H2
InChIKeyKVBVJIQJHXGCSU-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.34
Rot. Bonds2

About [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone

[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 67203926) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID67203926
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(-c2ccc3cc(O)ccc3c2)c1)N1CCOCC1
InChIInChI=1S/C21H18ClNO3/c22-20-6-4-17(21(25)23-7-9-26-10-8-23)13-19(20)16-2-1-15-12-18(24)5-3-14(15)11-16/h1-6,11-13,24H,7-10H2
InChIKeyKVBVJIQJHXGCSU-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
CID 57379048
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
[6-(2,5-dichlorophenyl)naphthalen-2-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 175644192
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone (CID 67203926) is [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Cl)c(-c2ccc3cc(O)ccc3c2)c1)N1CCOCC1.
What is the InChIKey of [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KVBVJIQJHXGCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-20-6-4-17(21(25)23-7-9-26-10-8-23)13-19(20)16-2-1-15-12-18(24)5-3-14(15)11-16/h1-6,11-13,24H,7-10H2.
What are the key properties of [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 367.83 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).