1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene

C24H25ClO2 — CID 3067156

IUPAC1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClO2/c1-3-24(2,20-12-14-21(25)15-13-20)18-26-17-19-8-7-11-23(16-19)27-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3
InChIKeyDONNXRLQNZUMCG-UHFFFAOYSA-N
MW380.92 g/mol
LogP7.02
Rot. Bonds8

About 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene

1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene (PubChem CID 3067156) has the molecular formula C24H25ClO2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
PubChem CID3067156
Molecular FormulaC24H25ClO2
Molecular Weight380.92 g/mol
Exact Mass380.15
IUPAC Name1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClO2/c1-3-24(2,20-12-14-21(25)15-13-20)18-26-17-19-8-7-11-23(16-19)27-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3
InChIKeyDONNXRLQNZUMCG-UHFFFAOYSA-N
XLogP7.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
CID 96831
Phenol, 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 157700
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
4,4',4''-Trimethoxytrityl chloride
CID 630505
1-(Benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene
CID 11973927
2-[2-(4-chlorophenyl)ethyl]-3,3-dimethyl-6-(3-phenoxypropyl)-2H-1-benzofuran-5-ol
CID 15161034
Benzene, 1,1'-(1-phenylethylidene)bis(4-(heptyloxy)-
CID 118993836
3-(4-Chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile
CID 128340
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268104

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene (CID 3067156) is 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene is CCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The InChIKey is DONNXRLQNZUMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO2/c1-3-24(2,20-12-14-21(25)15-13-20)18-26-17-19-8-7-11-23(16-19)27-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3.
What are the key properties of 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene has a molecular weight of 380.92 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene is sourced from PubChem (CID 3067156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).