10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one

C19H16O4 — CID 91937171

IUPAC10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one
SMILESCC1(C)C=Cc2cc3c(cc2O1)Oc1cc(O)ccc1C(=O)C3
InChIInChI=1S/C19H16O4/c1-19(2)6-5-11-7-12-8-15(21)14-4-3-13(20)9-18(14)22-16(12)10-17(11)23-19/h3-7,9-10,20H,8H2,1-2H3
InChIKeyDKCYTDRJWSWOQP-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.11
Rot. Bonds

About 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one

10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one (PubChem CID 91937171) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one.

Molecular Properties

Compound Name10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one
PubChem CID91937171
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one
SMILESCC1(C)C=Cc2cc3c(cc2O1)Oc1cc(O)ccc1C(=O)C3
InChIInChI=1S/C19H16O4/c1-19(2)6-5-11-7-12-8-15(21)14-4-3-13(20)9-18(14)22-16(12)10-17(11)23-19/h3-7,9-10,20H,8H2,1-2H3
InChIKeyDKCYTDRJWSWOQP-UHFFFAOYSA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one?
The IUPAC name of 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one (CID 91937171) is 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one.
What is the SMILES notation for 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one?
The canonical SMILES for 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one is CC1(C)C=Cc2cc3c(cc2O1)Oc1cc(O)ccc1C(=O)C3.
What is the InChIKey of 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one?
The InChIKey is DKCYTDRJWSWOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(2)6-5-11-7-12-8-15(21)14-4-3-13(20)9-18(14)22-16(12)10-17(11)23-19/h3-7,9-10,20H,8H2,1-2H3.
What are the key properties of 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one?
10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one has a molecular weight of 308.33 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,2-dimethyl-6H-chromeno[7,6-b][1]benzoxepin-7-one is sourced from PubChem (CID 91937171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).