(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

C18H18ClNO3 — CID 11955508

IUPAC(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(Cl)cc3C2)c(O)cc1O
InChIInChI=1S/C18H18ClNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3
InChIKeyFBMKRVXJVXRCOJ-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.03
Rot. Bonds2

About (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 11955508) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID11955508
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(Cl)cc3C2)c(O)cc1O
InChIInChI=1S/C18H18ClNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3
InChIKeyFBMKRVXJVXRCOJ-UHFFFAOYSA-N
XLogP4.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 11955508) is (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2Cc3ccc(Cl)cc3C2)c(O)cc1O.
What is the InChIKey of (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is FBMKRVXJVXRCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3.
What are the key properties of (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
(5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 331.80 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11955508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).