(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

C19H13N3O2 — CID 154713295

IUPAC(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1cccc(O)c1)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H13N3O2/c23-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)22(17)19-20-9-4-10-21-19/h1-12,23H
InChIKeyZZCDCJXTLDEKPE-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.36
Rot. Bonds3

About (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 154713295) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID154713295
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1cccc(O)c1)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H13N3O2/c23-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)22(17)19-20-9-4-10-21-19/h1-12,23H
InChIKeyZZCDCJXTLDEKPE-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025205
(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025830
(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
CID 71560087
N-octyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 142734736
1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone
CID 177414964
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
lithium 2-benzoylindole-1-carboxylate
CID 134905163
tert-butyl (E)-3-(1-pyrimidin-2-ylindol-2-yl)prop-2-enoate
CID 102233930
(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone
CID 170857549
(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
CID 161079184
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 154713295) is (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is O=C(c1cccc(O)c1)c1cc2ccccc2n1-c1ncccn1.
What is the InChIKey of (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is ZZCDCJXTLDEKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)22(17)19-20-9-4-10-21-19/h1-12,23H.
What are the key properties of (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 315.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 154713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).