(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone

C24H22ClFO5 — CID 67592875

IUPAC(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone
SMILESCOc1cc(C)c(C(=O)c2c(Cl)ccc(OC)c2OC)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C24H22ClFO5/c1-14-11-17(28-2)12-20(31-13-15-5-7-16(26)8-6-15)21(14)23(27)22-18(25)9-10-19(29-3)24(22)30-4/h5-12H,13H2,1-4H3
InChIKeyDHPPXCPOUWIGCI-UHFFFAOYSA-N
MW444.89 g/mol
LogP5.62
Rot. Bonds8

About (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone

(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone (PubChem CID 67592875) has the molecular formula C24H22ClFO5 and a molecular weight of 444.89 g/mol. Its IUPAC name is (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone.

Molecular Properties

Compound Name(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone
PubChem CID67592875
Molecular FormulaC24H22ClFO5
Molecular Weight444.89 g/mol
Exact Mass444.11
IUPAC Name(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone
SMILESCOc1cc(C)c(C(=O)c2c(Cl)ccc(OC)c2OC)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C24H22ClFO5/c1-14-11-17(28-2)12-20(31-13-15-5-7-16(26)8-6-15)21(14)23(27)22-18(25)9-10-19(29-3)24(22)30-4/h5-12H,13H2,1-4H3
InChIKeyDHPPXCPOUWIGCI-UHFFFAOYSA-N
XLogP5.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.89
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone with MolForge

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Related Compounds

bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 46779695
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enamide
CID 91685081
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
4-chloro-3-[(4-fluorophenyl)methoxy]phenol
CID 155746244
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone?
The IUPAC name of (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone (CID 67592875) is (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone.
What is the SMILES notation for (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone?
The canonical SMILES for (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone is COc1cc(C)c(C(=O)c2c(Cl)ccc(OC)c2OC)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone?
The InChIKey is DHPPXCPOUWIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFO5/c1-14-11-17(28-2)12-20(31-13-15-5-7-16(26)8-6-15)21(14)23(27)22-18(25)9-10-19(29-3)24(22)30-4/h5-12H,13H2,1-4H3.
What are the key properties of (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone?
(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone has a molecular weight of 444.89 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone is sourced from PubChem (CID 67592875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).