1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid

C19H18O4 — CID 130436914

IUPAC1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid
SMILESC=C1Oc2cc(CCC)c(C(=O)O)c(O)c2-c2cc(C)ccc21
InChIInChI=1S/C19H18O4/c1-4-5-12-9-15-17(18(20)16(12)19(21)22)14-8-10(2)6-7-13(14)11(3)23-15/h6-9,20H,3-5H2,1-2H3,(H,21,22)
InChIKeyQEGYEWBCJXDLOV-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.38
Rot. Bonds3

About 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid

1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid (PubChem CID 130436914) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid
PubChem CID130436914
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid
SMILESC=C1Oc2cc(CCC)c(C(=O)O)c(O)c2-c2cc(C)ccc21
InChIInChI=1S/C19H18O4/c1-4-5-12-9-15-17(18(20)16(12)19(21)22)14-8-10(2)6-7-13(14)11(3)23-15/h6-9,20H,3-5H2,1-2H3,(H,21,22)
InChIKeyQEGYEWBCJXDLOV-UHFFFAOYSA-N
XLogP4.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid (CID 130436914) is 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid is C=C1Oc2cc(CCC)c(C(=O)O)c(O)c2-c2cc(C)ccc21.
What is the InChIKey of 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid?
The InChIKey is QEGYEWBCJXDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-5-12-9-15-17(18(20)16(12)19(21)22)14-8-10(2)6-7-13(14)11(3)23-15/h6-9,20H,3-5H2,1-2H3,(H,21,22).
What are the key properties of 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid?
1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9-methyl-6-methylidene-3-propylbenzo[c]chromene-2-carboxylic acid is sourced from PubChem (CID 130436914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).