2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid

C17H16O4 — CID 123438747

IUPAC2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1OC(O)CC2c1ccccc1
InChIInChI=1S/C17H16O4/c1-10-7-12(17(19)20)8-14-13(9-15(18)21-16(10)14)11-5-3-2-4-6-11/h2-8,13,15,18H,9H2,1H3,(H,19,20)
InChIKeyQJSXYKCBKFACCS-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.93
Rot. Bonds2

About 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid

2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 123438747) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID123438747
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1OC(O)CC2c1ccccc1
InChIInChI=1S/C17H16O4/c1-10-7-12(17(19)20)8-14-13(9-15(18)21-16(10)14)11-5-3-2-4-6-11/h2-8,13,15,18H,9H2,1H3,(H,19,20)
InChIKeyQJSXYKCBKFACCS-UHFFFAOYSA-N
XLogP2.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate
CID 69348261
9-hydroxy-4-methyl-9H-fluorene-2-carboxylic acid
CID 138711693
(4S)-2-hydroxy-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-2H-chromen-5-one
CID 102396317
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
CID 23533004
(3S)-5-N,7-N-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 164609742
2-hydroxy-4-(3-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 123570420
3-methyl-4-(3-phenylazetidin-1-yl)benzoic acid
CID 79686617
2-hydroxy-4-phenyl-3,4,4a,5-tetrahydro-2H-chromene-6-carboxylic acid
CID 123232272
lithium;hydride;4-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzoic acid
CID 173426356
2,2,8-trimethyl-4H-1,3-benzodioxine-6-carboxylic acid
CID 86725233
2-(6,8-dimethyl-3,4-dihydro-2H-chromen-2-yl)benzoic acid
CID 82047618

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 123438747) is 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid is Cc1cc(C(=O)O)cc2c1OC(O)CC2c1ccccc1.
What is the InChIKey of 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is QJSXYKCBKFACCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-10-7-12(17(19)20)8-14-13(9-15(18)21-16(10)14)11-5-3-2-4-6-11/h2-8,13,15,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 123438747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).