6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one

C17H15ClO4 — CID 69167667

IUPAC6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1O
InChIInChI=1S/C17H15ClO4/c1-21-16-4-2-10(7-14(16)19)6-11-9-22-15-5-3-12(18)8-13(15)17(11)20/h2-5,7-8,11,19H,6,9H2,1H3
InChIKeyGFDCPSQELVPCHS-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.49
Rot. Bonds3

About 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one

6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one (PubChem CID 69167667) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
PubChem CID69167667
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1O
InChIInChI=1S/C17H15ClO4/c1-21-16-4-2-10(7-14(16)19)6-11-9-22-15-5-3-12(18)8-13(15)17(11)20/h2-5,7-8,11,19H,6,9H2,1H3
InChIKeyGFDCPSQELVPCHS-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 162921322
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
CID 44814526
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
CID 14159191
7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
CID 71504780
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
2-methoxy-5-[[(3R)-5,6,7-trimethoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
CID 155755652
5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
CID 155755624
(3R)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
CID 638293
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 14159176

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one (CID 69167667) is 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one is COc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1O.
What is the InChIKey of 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The InChIKey is GFDCPSQELVPCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-21-16-4-2-10(7-14(16)19)6-11-9-22-15-5-3-12(18)8-13(15)17(11)20/h2-5,7-8,11,19H,6,9H2,1H3.
What are the key properties of 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one?
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one has a molecular weight of 318.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69167667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).