methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate

C18H16O5 — CID 53360037

IUPACmethyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate
SMILESCOC(=O)C1(O)C=C(c2ccccc2)c2cc(OC)ccc2O1
InChIInChI=1S/C18H16O5/c1-21-13-8-9-16-14(10-13)15(12-6-4-3-5-7-12)11-18(20,23-16)17(19)22-2/h3-11,20H,1-2H3
InChIKeyNQNJHKSWOPKKCY-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate

methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate (PubChem CID 53360037) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate
PubChem CID53360037
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namemethyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate
SMILESCOC(=O)C1(O)C=C(c2ccccc2)c2cc(OC)ccc2O1
InChIInChI=1S/C18H16O5/c1-21-13-8-9-16-14(10-13)15(12-6-4-3-5-7-12)11-18(20,23-16)17(19)22-2/h3-11,20H,1-2H3
InChIKeyNQNJHKSWOPKKCY-UHFFFAOYSA-N
XLogP2.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-methoxy-4-phenylspiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 66696309
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
6'-methoxy-6-methyl-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118316397
[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
CID 25016928
7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770929
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770964
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
methyl 6-methoxy-2-phenyl-1,4-benzodioxine-3-carboxylate
CID 15372693
4-methoxy-N,2-diphenylbenzamide
CID 156739257
(2,2-dimethyl-4-phenylchromen-7-yl) trifluoromethanesulfonate
CID 59443090

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate?
The IUPAC name of methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate (CID 53360037) is methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate?
The canonical SMILES for methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate is COC(=O)C1(O)C=C(c2ccccc2)c2cc(OC)ccc2O1.
What is the InChIKey of methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate?
The InChIKey is NQNJHKSWOPKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-21-13-8-9-16-14(10-13)15(12-6-4-3-5-7-12)11-18(20,23-16)17(19)22-2/h3-11,20H,1-2H3.
What are the key properties of methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate?
methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate is sourced from PubChem (CID 53360037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).