8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one

C17H15ClO4 — CID 135373685

IUPAC8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(COc2ccc3c(c2Cl)OCCC3=O)cc1
InChIInChI=1S/C17H15ClO4/c1-20-12-4-2-11(3-5-12)10-22-15-7-6-13-14(19)8-9-21-17(13)16(15)18/h2-7H,8-10H2,1H3
InChIKeyUTDMXUKSJMJGQN-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.89
Rot. Bonds4

About 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one

8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one (PubChem CID 135373685) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
PubChem CID135373685
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(COc2ccc3c(c2Cl)OCCC3=O)cc1
InChIInChI=1S/C17H15ClO4/c1-20-12-4-2-11(3-5-12)10-22-15-7-6-13-14(19)8-9-21-17(13)16(15)18/h2-7H,8-10H2,1H3
InChIKeyUTDMXUKSJMJGQN-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-methoxyphenyl)methoxy]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrochromen-4-one
CID 156870862
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871495
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
CID 170558457
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one
CID 13246203
8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
CID 135373615
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one?
The IUPAC name of 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one (CID 135373685) is 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one is COc1ccc(COc2ccc3c(c2Cl)OCCC3=O)cc1.
What is the InChIKey of 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one?
The InChIKey is UTDMXUKSJMJGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-20-12-4-2-11(3-5-12)10-22-15-7-6-13-14(19)8-9-21-17(13)16(15)18/h2-7H,8-10H2,1H3.
What are the key properties of 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one?
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one has a molecular weight of 318.76 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 135373685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).