7-hydroxy-9-propylbenzo[c]chromen-6-one

C16H14O3 — CID 16754719

IUPAC7-hydroxy-9-propylbenzo[c]chromen-6-one
SMILESCCCc1cc(O)c2c(=O)oc3ccccc3c2c1
InChIInChI=1S/C16H14O3/c1-2-5-10-8-12-11-6-3-4-7-14(11)19-16(18)15(12)13(17)9-10/h3-4,6-9,17H,2,5H2,1H3
InChIKeyYFHVQMCEZOBWDB-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.60
Rot. Bonds2

About 7-hydroxy-9-propylbenzo[c]chromen-6-one

7-hydroxy-9-propylbenzo[c]chromen-6-one (PubChem CID 16754719) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 7-hydroxy-9-propylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name7-hydroxy-9-propylbenzo[c]chromen-6-one
PubChem CID16754719
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name7-hydroxy-9-propylbenzo[c]chromen-6-one
SMILESCCCc1cc(O)c2c(=O)oc3ccccc3c2c1
InChIInChI=1S/C16H14O3/c1-2-5-10-8-12-11-6-3-4-7-14(11)19-16(18)15(12)13(17)9-10/h3-4,6-9,17H,2,5H2,1H3
InChIKeyYFHVQMCEZOBWDB-UHFFFAOYSA-N
XLogP3.60
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
CID 102575642
9-butylbenzo[c]chromen-6-one
CID 102375140
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
7-chloro-8-hydroxybenzo[c]chromen-6-one
CID 164598055
13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione
CID 123400616
naphtho[1,2-c]chromen-5-one
CID 102526290
2,6-dipropylchromen-4-one
CID 58402381
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
dibenzofuran;ethanol
CID 174821059
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509
3,4-diethoxychromen-2-one
CID 90255816
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-9-propylbenzo[c]chromen-6-one?
The IUPAC name of 7-hydroxy-9-propylbenzo[c]chromen-6-one (CID 16754719) is 7-hydroxy-9-propylbenzo[c]chromen-6-one.
What is the SMILES notation for 7-hydroxy-9-propylbenzo[c]chromen-6-one?
The canonical SMILES for 7-hydroxy-9-propylbenzo[c]chromen-6-one is CCCc1cc(O)c2c(=O)oc3ccccc3c2c1.
What is the InChIKey of 7-hydroxy-9-propylbenzo[c]chromen-6-one?
The InChIKey is YFHVQMCEZOBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-5-10-8-12-11-6-3-4-7-14(11)19-16(18)15(12)13(17)9-10/h3-4,6-9,17H,2,5H2,1H3.
What are the key properties of 7-hydroxy-9-propylbenzo[c]chromen-6-one?
7-hydroxy-9-propylbenzo[c]chromen-6-one has a molecular weight of 254.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-propylbenzo[c]chromen-6-one is sourced from PubChem (CID 16754719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).