(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone

C15H12ClNO2 — CID 15942376

IUPAC(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO2/c16-12-5-6-13(14(18)7-12)15(19)17-8-10-3-1-2-4-11(10)9-17/h1-7,18H,8-9H2
InChIKeyMVBZRPMSQHRIEN-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.20
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone

(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 15942376) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID15942376
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO2/c16-12-5-6-13(14(18)7-12)15(19)17-8-10-3-1-2-4-11(10)9-17/h1-7,18H,8-9H2
InChIKeyMVBZRPMSQHRIEN-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
[5-(2,4-dichloroanilino)-2,4-dihydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 86294738
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
(2-amino-5-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63155033
2-(4-chloro-2-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863557
(4-chloro-2-hydroxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63026132

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 15942376) is (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1ccc(Cl)cc1O)N1Cc2ccccc2C1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is MVBZRPMSQHRIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-5-6-13(14(18)7-12)15(19)17-8-10-3-1-2-4-11(10)9-17/h1-7,18H,8-9H2.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 273.72 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 15942376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).