12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one

C18H16O2 — CID 16754820

IUPAC12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
SMILESCc1cc2c(c3c1CCCC3)c(=O)oc1ccccc12
InChIInChI=1S/C18H16O2/c1-11-10-15-13-7-4-5-9-16(13)20-18(19)17(15)14-8-3-2-6-12(11)14/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyCVEPWRWOQYVUAN-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.13
Rot. Bonds

About 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one

12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one (PubChem CID 16754820) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one.

Molecular Properties

Compound Name12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
PubChem CID16754820
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
SMILESCc1cc2c(c3c1CCCC3)c(=O)oc1ccccc12
InChIInChI=1S/C18H16O2/c1-11-10-15-13-7-4-5-9-16(13)20-18(19)17(15)14-8-3-2-6-12(11)14/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyCVEPWRWOQYVUAN-UHFFFAOYSA-N
XLogP4.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 144608278
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
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naphtho[1,2-c]chromen-5-one
CID 102526290
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CID 91589984
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668

Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one?
The IUPAC name of 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one (CID 16754820) is 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one.
What is the SMILES notation for 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one?
The canonical SMILES for 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one is Cc1cc2c(c3c1CCCC3)c(=O)oc1ccccc12.
What is the InChIKey of 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one?
The InChIKey is CVEPWRWOQYVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-11-10-15-13-7-4-5-9-16(13)20-18(19)17(15)14-8-3-2-6-12(11)14/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one?
12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one has a molecular weight of 264.32 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one is sourced from PubChem (CID 16754820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).