1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone

C24H23ClO4 — CID 53376359

IUPAC1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
SMILESCc1cc(OC2CCCCO2)c2ccccc2c1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO4/c1-16-14-22(29-23-8-4-5-13-27-23)19-6-2-3-7-20(19)24(16)28-15-21(26)17-9-11-18(25)12-10-17/h2-3,6-7,9-12,14,23H,4-5,8,13,15H2,1H3
InChIKeyRRJTXGQIWRHHBO-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.97
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone

1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone (PubChem CID 53376359) has the molecular formula C24H23ClO4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
PubChem CID53376359
Molecular FormulaC24H23ClO4
Molecular Weight410.90 g/mol
Exact Mass410.13
IUPAC Name1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
SMILESCc1cc(OC2CCCCO2)c2ccccc2c1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO4/c1-16-14-22(29-23-8-4-5-13-27-23)19-6-2-3-7-20(19)24(16)28-15-21(26)17-9-11-18(25)12-10-17/h2-3,6-7,9-12,14,23H,4-5,8,13,15H2,1H3
InChIKeyRRJTXGQIWRHHBO-UHFFFAOYSA-N
XLogP5.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
CID 53376358
2-[6-formyl-2,3-dimethyl-4-(oxan-2-yloxy)phenoxy]acetic acid
CID 22026145
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[2-bromo-3-[(2R)-oxan-2-yl]oxyphenoxy]propan-2-one
CID 124672649
3-chloro-4-(oxan-2-yloxy)benzaldehyde
CID 87515620
2-(2,5-dimethylphenoxy)oxane
CID 15305690
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
(E)-1-(4-chlorophenyl)-3-[3-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 139234406
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone (CID 53376359) is 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone is Cc1cc(OC2CCCCO2)c2ccccc2c1OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone?
The InChIKey is RRJTXGQIWRHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO4/c1-16-14-22(29-23-8-4-5-13-27-23)19-6-2-3-7-20(19)24(16)28-15-21(26)17-9-11-18(25)12-10-17/h2-3,6-7,9-12,14,23H,4-5,8,13,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone?
1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone has a molecular weight of 410.90 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone is sourced from PubChem (CID 53376359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).