7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one

C16H17ClO3 — CID 23910904

IUPAC7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one
SMILESCCCOc1cc2oc3c(c(=O)c2cc1Cl)CCCC3
InChIInChI=1S/C16H17ClO3/c1-2-7-19-15-9-14-11(8-12(15)17)16(18)10-5-3-4-6-13(10)20-14/h8-9H,2-7H2,1H3
InChIKeyPCYXEXAVIHBGSN-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.11
Rot. Bonds3

About 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one

7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one (PubChem CID 23910904) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one.

Molecular Properties

Compound Name7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one
PubChem CID23910904
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one
SMILESCCCOc1cc2oc3c(c(=O)c2cc1Cl)CCCC3
InChIInChI=1S/C16H17ClO3/c1-2-7-19-15-9-14-11(8-12(15)17)16(18)10-5-3-4-6-13(10)20-14/h8-9H,2-7H2,1H3
InChIKeyPCYXEXAVIHBGSN-UHFFFAOYSA-N
XLogP4.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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C7-substituted chromone derivative, 3d
CID 70702063
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CID 164617695
2-(3,4-Dichlorophenyl)-7-methoxychromen-4-one
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7-(4-Bromobutoxy)-2-(4-chlorophenyl)chromen-4-one
CID 53320200
3-Chloro-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one?
The IUPAC name of 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one (CID 23910904) is 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one.
What is the SMILES notation for 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one?
The canonical SMILES for 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one is CCCOc1cc2oc3c(c(=O)c2cc1Cl)CCCC3.
What is the InChIKey of 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one?
The InChIKey is PCYXEXAVIHBGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-2-7-19-15-9-14-11(8-12(15)17)16(18)10-5-3-4-6-13(10)20-14/h8-9H,2-7H2,1H3.
What are the key properties of 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one?
7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one has a molecular weight of 292.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-propoxy-1,2,3,4-tetrahydroxanthen-9-one is sourced from PubChem (CID 23910904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).