6-phenyl-2H-chromene-4-carboxylic acid

C16H12O3 — CID 82087891

IUPAC6-phenyl-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1=CCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H12O3/c17-16(18)13-8-9-19-15-7-6-12(10-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
InChIKeyHRNBCOSITUNLJS-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.21
Rot. Bonds2

About 6-phenyl-2H-chromene-4-carboxylic acid

6-phenyl-2H-chromene-4-carboxylic acid (PubChem CID 82087891) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-phenyl-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-2H-chromene-4-carboxylic acid
PubChem CID82087891
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name6-phenyl-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1=CCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H12O3/c17-16(18)13-8-9-19-15-7-6-12(10-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
InChIKeyHRNBCOSITUNLJS-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2H-chromen-4-yl)-2-oxoacetic acid
CID 175857697
(7-phenyl-2H-chromen-4-yl)methylcarbamic acid
CID 90236964
3-benzhydrylidene-5-phenyl-1-benzofuran
CID 71697721
N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
CID 58406656
4-phenyl-2H-chromene
CID 11063647
N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
CID 58407018
2-(2-methyl-4-oxo-6-phenyl-3H-chromen-2-yl)acetic acid
CID 82019255
2-chloro-4-phenylbenzoic acid
CID 21487426
potassium;hydride;6-hydroxy-2-phenylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 173353051
7-(4-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69168067
(2,4-diphenylphenyl) acetate
CID 57057849
1,2,4-triphenylbenzene
CID 518325

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2H-chromene-4-carboxylic acid?
The IUPAC name of 6-phenyl-2H-chromene-4-carboxylic acid (CID 82087891) is 6-phenyl-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 6-phenyl-2H-chromene-4-carboxylic acid?
The canonical SMILES for 6-phenyl-2H-chromene-4-carboxylic acid is O=C(O)C1=CCOc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 6-phenyl-2H-chromene-4-carboxylic acid?
The InChIKey is HRNBCOSITUNLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16(18)13-8-9-19-15-7-6-12(10-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18).
What are the key properties of 6-phenyl-2H-chromene-4-carboxylic acid?
6-phenyl-2H-chromene-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 82087891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).