6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid

C16H13ClO3 — CID 135311490

IUPAC6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClO3/c17-12-6-7-14-13(10-12)16(15(18)19,8-9-20-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)
InChIKeyONMWAXONCVYALZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid

6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 135311490) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid
PubChem CID135311490
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClO3/c17-12-6-7-14-13(10-12)16(15(18)19,8-9-20-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)
InChIKeyONMWAXONCVYALZ-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2,3-dihydrochromene-4-carboxamide
CID 13053015
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128969666
8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepine-5-carboxylic acid
CID 83672375
6'-chlorospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
CID 13014150
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
4-propan-2-yl-2,3-dihydrochromene-4-carboxylic acid
CID 79428676
(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906816
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
3-(4-chlorophenyl)-3-phenyloxolan-2-one
CID 175135173
6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol
CID 58951608

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid (CID 135311490) is 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is ONMWAXONCVYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-6-7-14-13(10-12)16(15(18)19,8-9-20-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid?
6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 288.73 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 135311490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).