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

C17H14O3 — CID 23533004

IUPAC2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
SMILESC=C1CC(c2ccccc2)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C17H14O3/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17(18)19)7-8-16(15)20-11/h2-8,10,14H,1,9H2,(H,18,19)
InChIKeyCNOZSGTULRMLIZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.81
Rot. Bonds2

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

2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid (PubChem CID 23533004) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid.

Molecular Properties

Compound Name2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
PubChem CID23533004
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
SMILESC=C1CC(c2ccccc2)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C17H14O3/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17(18)19)7-8-16(15)20-11/h2-8,10,14H,1,9H2,(H,18,19)
InChIKeyCNOZSGTULRMLIZ-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-oxo-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
CID 169435684
(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 124707891
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17(22),18,20,23,25,27-dodecaene-5,13,19-tricarboxylic acid
CID 132821383
(1R,2S,9R,10S)-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17,19,21,23,25,27-dodecaene-5,14-dicarboxylic acid
CID 11597449
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499
2-methylidene-4-phenyl-3,4-dihydrobenzo[h]chromene
CID 59140304
(4R)-6-acetyl-4-phenyl-3,4-dihydrochromen-2-one;4-(hydroxymethyl)-2-[(1R)-3-hydroxy-1-phenylpropyl]phenol
CID 158898022
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
2-hydroxy-8-methyl-4-phenyl-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 123438747

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid?
The IUPAC name of 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid (CID 23533004) is 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid.
What is the SMILES notation for 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid?
The canonical SMILES for 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid is C=C1CC(c2ccccc2)c2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid?
The InChIKey is CNOZSGTULRMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17(18)19)7-8-16(15)20-11/h2-8,10,14H,1,9H2,(H,18,19).
What are the key properties of 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid?
2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid is sourced from PubChem (CID 23533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).