3-phenylchromen-2-one;hydrochloride

C15H11ClO2 — CID 141206894

IUPAC3-phenylchromen-2-one;hydrochloride
SMILESCl.O=c1oc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C15H10O2.ClH/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15;/h1-10H;1H
InChIKeyRANHVMYUJUGYFI-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.88
Rot. Bonds1

About 3-phenylchromen-2-one;hydrochloride

3-phenylchromen-2-one;hydrochloride (PubChem CID 141206894) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-phenylchromen-2-one;hydrochloride.

Molecular Properties

Compound Name3-phenylchromen-2-one;hydrochloride
PubChem CID141206894
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name3-phenylchromen-2-one;hydrochloride
SMILESCl.O=c1oc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C15H10O2.ClH/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15;/h1-10H;1H
InChIKeyRANHVMYUJUGYFI-UHFFFAOYSA-N
XLogP3.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(2-oxochromen-3-yl)benzoate
CID 4249737
4-deuterio-3-phenylchromen-2-one
CID 10799109
[4-(2-oxochromen-3-yl)phenyl]arsonic acid
CID 154199861
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
CID 14320030
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
7-(furan-2-yl)-3-phenylchromen-2-one
CID 59685532
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846

Frequently Asked Questions

What is the IUPAC name of 3-phenylchromen-2-one;hydrochloride?
The IUPAC name of 3-phenylchromen-2-one;hydrochloride (CID 141206894) is 3-phenylchromen-2-one;hydrochloride.
What is the SMILES notation for 3-phenylchromen-2-one;hydrochloride?
The canonical SMILES for 3-phenylchromen-2-one;hydrochloride is Cl.O=c1oc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenylchromen-2-one;hydrochloride?
The InChIKey is RANHVMYUJUGYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.ClH/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15;/h1-10H;1H.
What are the key properties of 3-phenylchromen-2-one;hydrochloride?
3-phenylchromen-2-one;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylchromen-2-one;hydrochloride is sourced from PubChem (CID 141206894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).