7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one

C18H19NO3 — CID 82172489

IUPAC7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCOc1cccc(C(O)c2cc(C)cc3c2NC(=O)C3C)c1
InChIInChI=1S/C18H19NO3/c1-10-7-14-11(2)18(21)19-16(14)15(8-10)17(20)12-5-4-6-13(9-12)22-3/h4-9,11,17,20H,1-3H3,(H,19,21)
InChIKeyUVFZBHZYRYRWRK-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.14
Rot. Bonds3

About 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one

7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172489) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172489
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCOc1cccc(C(O)c2cc(C)cc3c2NC(=O)C3C)c1
InChIInChI=1S/C18H19NO3/c1-10-7-14-11(2)18(21)19-16(14)15(8-10)17(20)12-5-4-6-13(9-12)22-3/h4-9,11,17,20H,1-3H3,(H,19,21)
InChIKeyUVFZBHZYRYRWRK-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173241
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824

Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172489) is 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one is COc1cccc(C(O)c2cc(C)cc3c2NC(=O)C3C)c1.
What is the InChIKey of 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is UVFZBHZYRYRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-10-7-14-11(2)18(21)19-16(14)15(8-10)17(20)12-5-4-6-13(9-12)22-3/h4-9,11,17,20H,1-3H3,(H,19,21).
What are the key properties of 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).