4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid

C18H16O4 — CID 58406905

IUPAC4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
SMILESCC1(C)C=C(c2ccccc2O)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C18H16O4/c1-18(2)10-14(12-5-3-4-6-15(12)19)13-9-11(17(20)21)7-8-16(13)22-18/h3-10,19H,1-2H3,(H,20,21)
InChIKeyAUBSRYHAVOEWIG-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.69
Rot. Bonds2

About 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid

4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid (PubChem CID 58406905) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
PubChem CID58406905
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
SMILESCC1(C)C=C(c2ccccc2O)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C18H16O4/c1-18(2)10-14(12-5-3-4-6-15(12)19)13-9-11(17(20)21)7-8-16(13)22-18/h3-10,19H,1-2H3,(H,20,21)
InChIKeyAUBSRYHAVOEWIG-UHFFFAOYSA-N
XLogP3.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
6,6-dimethylbenzo[c]chromene-9-carboxylic acid
CID 90880193
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629
2,2-dimethyl-3-oxo-1-benzofuran-5-carboxylic acid
CID 14470651
N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
CID 10572896
methyl 2,2-dimethyl-4-(2,4,5-trifluorophenyl)chromene-6-carboxylate
CID 58406737
ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
CID 14857376
ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate
CID 14857356
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406938
2,2-dimethyl-5-oxo-3H-1,4-benzodioxepine-7-carboxylic acid
CID 156689031

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid?
The IUPAC name of 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid (CID 58406905) is 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid is CC1(C)C=C(c2ccccc2O)c2cc(C(=O)O)ccc2O1.
What is the InChIKey of 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid?
The InChIKey is AUBSRYHAVOEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-18(2)10-14(12-5-3-4-6-15(12)19)13-9-11(17(20)21)7-8-16(13)22-18/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid?
4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid is sourced from PubChem (CID 58406905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).